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aromatic / amide

ऊपर रिपोर्ट देखें। यदि आपको अनुवर्ती चर्चा की आवश्यकता हो तो नीचे टिप्पणियों का उपयोग करें।

परिणाम संख्या: 20251117101032480542760 मालिक: publicuser टिप्पणियाँ: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20251117101032480542760 Date: Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

Library spectrum will appear here.
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Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
Reference candidates load with this Top-15 workbench.

Based on the library matches and evidence above.

Conclusion

aromatic / amide

General assessment
LLM विश्वास
#42679 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. The library top‑15 consensus repeatedly highlights aromatic and amide functional groups, which agrees with the assigned ring and carbonyl bands.
  2. Direct‑literature sources attribute the 2851/2919 cm⁻¹ region to alkyl C‑H in numerous organic matrices, and the 1742 cm⁻¹ band to carbonyl stretching in esters and amides [1][2].
  3. A cited report explicitly assigns the 3276 cm⁻¹ band to amide N‑H stretching in polymeric amide systems, providing independent support for the amide direction [3].
Main limitation

The absence of a strong, sharp C≡N or C≡C band argues against a nitrile or alkyne‑rich structure, though such absence does not conflict with the aromatic/amide hypothesis.

Evidence & interpretation
Evidence

Key evidence

लाइब्रेरी मुख्य मिलान
4-aminophenol #42679 | match 0.0%
सामग्री दिशा
aromatic / amide The sample spectrum is dominated by features of an aromatic organic compound that also contains amide and/or hydroxyl groups. Strong aliphatic C‑H stretching, a prominent carbonyl band, and a pair of aromatic ring modes indicate a substituted aromatic skeleton bearing carbonyl and N‑H/O‑H functionalities. The reference library comparison points to 4‑aminophenol but with low confidence, and the overall evidence best supports an aromatic amide or aminophenol‑type material, without a definitive single identity.
Supporting peaks
705 cm-1 749 cm-1 822 cm-1 919 cm-1 969 cm-1 1010 cm-1 1091 cm-1 1120 cm-1
Supporting groups
methyl aromatic c_o_single_bond oxygen ring_6m ring o_h_stretch n_h_stretch
Support

Evidence supporting the conclusion

Only sample-relevant statements that support the present conclusion are shown here.

  1. The sample spectrum is dominated by features of an aromatic organic compound that also contains amide and/or hydroxyl groups. Strong aliphatic C‑H stretching, a prominent carbonyl band, and a pair of aromatic ring modes indicate a substituted aromatic skeleton bearing carbonyl and N‑H/O‑H functionalities. The reference library comparison points to 4‑aminophenol but with low confidence, and the overall evidence best supports an aromatic amide or aminophenol‑type material, without a definitive single identity.
  2. The library top‑15 consensus repeatedly highlights aromatic and amide functional groups, which agrees with the assigned ring and carbonyl bands.
  3. Direct‑literature sources attribute the 2851/2919 cm⁻¹ region to alkyl C‑H in numerous organic matrices, and the 1742 cm⁻¹ band to carbonyl stretching in esters and amides [1][2].
  4. A cited report explicitly assigns the 3276 cm⁻¹ band to amide N‑H stretching in polymeric amide systems, providing independent support for the amide direction [3].
  5. The intense bands at 2851 cm⁻¹ and 2919 cm⁻¹ are consistent with symmetric and asymmetric alkyl C‑H stretching, suggesting aliphatic hydrocarbon segments [1].
  6. A sharp carbonyl absorption at 1742 cm⁻¹ is attributable to C=O stretching, which may arise from ester or amide carbonyl groups [2].
  7. The pair of bands at 1509 cm⁻¹ and 1614 cm⁻¹ is assigned to aromatic C=C skeletal vibrations, confirming the presence of a substituted aromatic ring [2].
  8. Broad absorptions centered near 3276 cm⁻¹ and 3337 cm⁻¹ fall in the region typical of N‑H and O‑H stretching, and are assigned to amide and/or phenol/hydroxyl groups [3].
  9. Major peak assignments include 822: Direct reference: alkyl c h; c o single bond | Quality: The spectrum edges look truncated or baseline-shifted; 749: Direct reference: alkyl c h; c o single bond | Quality: The spectrum edges look truncated or baseline-shifted; 1091: Related literature: C-O stretching (alcohol/phenol/ester/ether) | Direct reference: alkyl c h; c o single bond | Quality: The spectrum edges look truncated or baseline-shifted; 969: Direct reference: alkyl c h; c o single bond | Quality: The spectrum edges look truncated or baseline-shifted.
Limitations

Evidence that limits the conclusion

  • The absence of a strong, sharp C≡N or C≡C band argues against a nitrile or alkyne‑rich structure, though such absence does not conflict with the aromatic/amide hypothesis.
  • No firm evidence of a primary amine –NH₂ scissoring mode is observed around 1600–1650 cm⁻¹, which would be expected if the material were a simple aminophenol; the 1509 cm⁻¹ band is instead assigned to aromatic ring vibration.
  • The broad 3276/3337 cm‑¹ region could originate from both N‑H and O‑H stretching, and the relative contributions cannot be determined from FTIR alone.
  • The carbonyl band at 1742 cm⁻¹ is shifted to a position more typical of ester than amide I; if the compound is purely amide, this shift raises uncertainty.
  • The library match to 4‑aminophenol is very weak (similarity ≈ 0.0), so the exact identity remains unresolved; the spectrum is compatible with a range of aromatic amides or aminophenols.
Recommendation

Suggested next verification

  • Acquire an NMR spectrum (¹H and ¹³C) to confirm the aromatic substitution pattern and distinguish between amide and ester carbonyls.
  • Perform an elemental or mass spectrometric analysis to determine the heteroatom content (N, O) and verify the presence of nitrogen.
  • If the sample is suspected to be an aminophenol, a simple wet‑chemical test for primary amine (e.g., ninhydrin) could help narrow the structural possibilities.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 822 1.00 - - - -
2 · 749 0.94 - - - -
3 · 1091 0.93 - - - -
4 · 969 0.87 - - - -
5 · 1470 0.84 - - - -
6 ★ 1509 0.84 साहित्य-समर्थित असाइनमेंट 1509 cm-1 पर बैंड को Aromatic C=C stretching[S4][S6] को सौंपा गया है। [S4], [S6] LLM विश्वास
7 · 1212 0.80 - - - -
8 · 1236 0.77 - - - -
9 · 1168 0.74 - - - -
10 · 705 0.73 - - - -
11 · 1010 0.73 - - - -
12 · 1255 0.70 - - - -
13 · 1120 0.70 - - - -
14 · 919 0.67 - - - -
15 · 1382 0.59 - - - -
16 ★ 2919 0.55 साहित्य-समर्थित असाइनमेंट 2919 cm-1 पर बैंड को C-H alkane stretching[S6] को सौंपा गया है। [S6] LLM विश्वास
17 ★ 1614 0.52 साहित्य-समर्थित असाइनमेंट 1614 cm-1 पर बैंड को Aromatic C=C stretching[S4][S6] को सौंपा गया है। [S4], [S6] LLM विश्वास
18 ★ 2851 0.45 साहित्य-समर्थित असाइनमेंट 2851 cm-1 पर बैंड को C-H alkane stretching[S6] को सौंपा गया है। [S6] LLM विश्वास
19 · 2590 0.45 - - - -
20 ★ 3276 0.42 साहित्य-समर्थित असाइनमेंट 3276 cm-1 पर बैंड को amide[RC3180] को सौंपा गया है। [RC3180] समग्र आत्मविश्वास
21 ★ 3337 0.39 साहित्य-समर्थित असाइनमेंट 3337 cm-1 पर बैंड को O-H/N-H stretching[S6] को सौंपा गया है। [S6] समग्र आत्मविश्वास
22 · 1282 0.33 - - - -
23 · 2324 0.33 - - - -
24 · 1548 0.27 - - - -
25 · 2050 0.23 - - - -
26 ★ 1742 0.23 साहित्य-समर्थित असाइनमेंट 1742 cm-1 पर बैंड को Carbonyl C=O stretch[S4][S6] को सौंपा गया है। [S4], [S6] LLM विश्वास
27 · 1979 0.22 - - - -
28 · 2166 0.21 - - - -
29 · 1864 0.21 - - - -
30 · 2113 0.20 - - - -
Literature

References

1751 local KG peak-level literature source(s) kept in the candidate pool; peaks 705, 749, 822, 919, 969, 1010; groups (si,_al)_o_(si,_al), 1,3_substituted_compound, 13c_label, 3,6_anhydrogalactose.

No. Title Page
[1] Gregorio 等 - 2017 - Analysis of human bodily fluids on superabsorbent -
[2] Zewdie 等 - 2022 - Flat sheet metakaolin ceramic membrane for water d -
[3] Wang 等 - 2016 - Effects of aging on the structural, mechanical, an -
[4] Tasci 等 - 2016 - Determination of alliin and allicin in the plant o -
[5] Paul 等 - 2012 - Immobilised anatase on clay mineral particles as a -
[6] Pandey 等 - 2016 - Impact of post deposition annealing in O-2 ambient -
[7] Fernandes 等 - 2018 - Membranes of polysulfoneclay influence of differ -
[8] Chaparro 等 - 2023 - Biowaxes from Palm Oil as Promising Candidates for -
[9] Castorina 等 - 2023 - Evidence for Mild Diagenesis in Archaeological Hum -
[10] Cao 等 - 2019 - Bio-Based Coating Materials Derived from Acetoacet -
[11] Azam 等 - 2012 - Effect of Mn doping on the structural and optical -
[12] pdf20231221 cm-1 infrared 第一部分/duband 等 - 2012 - laryngeal teflonoma identified by fourier-transfor.pdf -
[13] Zhang 等 - 2022 - Morphological Features and Spectral Comparisons of -
[14] Zhang 和 Zhou - 2022 - Industrial lignins the potential for efficient re -
[15] Qin 等 - 2022 - Application of SiON Coatings in Sandstone Artifact -
[16] Muvhiiwa 等 - 2019 - Study of biochar from pyrolysis and gasification o -
[17] Meade 等 - 2007 - Growth substrate induced functional changes elucid -
[18] Liu 等 - 2016 - Thermal degradation properties of biobased iron al -
[19] Chen 等 - 2018 - Study on Thermal Decomposition Behaviors of Terpol -
[20] Belhadj 等 - 2017 - Mechanisms of Simultaneous Hydrogen Production and -
[21] Bawazeer 等 - 2021 - Green synthesis of silver nanoparticles using Trop -
[22] Baldauf 等 - 2007 - Effect of selective growth media on the differenti -
[23] Baij 等 - 2018 - Time-Dependent ATR-FTIR Spectroscopic Studies on F -
[24] Azadeh 等 - 2022 - Development of Water Repellent, Non-Friable Tannin -
[25] Asghar 等 - 2011 - Comparative Solid Phase Photocatalytic Degradation -
[26] AlDayyat 等 - 2021 - Pyrolysis of Solid Waste for Bio-Oil and Char Prod -
[27] Ahmed 等 - 2023 - Design and Characterization of Baricitinib Incorpo -
[28] pdf20231221 cm-1 infrared 第一部分/kuriyama 等 - 2007 - promoting mechanism of potassium in preferential c.pdf -
[29] Pei 等 - 2017 - Fabrication of Hypericin Imprinted Polymer Nanosph -
[S4] Mikolaszek 等 - 2022 - Microscopic and Spectroscopic Imaging and Thermal 9
[S6] Varol 和 Mutlu - 2023 - TGA-FTIR Analysis of Biomass Samples Based on the 7
[RC3180] Sharma 等 - 2009 - One-Dimensional Gold Nanoparticle Arrays by Electr 2
Appendix

Sample information and raw spectrum

Original uploaded spectrum for reference and verification.

Baseline correction method: Asymmetric Least Squares Smoothing

The wavelength range for analysis(cm-1): N/A

Raw spectrum without baseline correction or other processing:

Sample spectrum image
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