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परिणाम पृष्ठ

Oxygen‑rich organic material (potential carbohydrate, polyol, or polyether)

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

परिणाम संख्या: 20260111212748110479173 मालिक: publicuser टिप्पणियाँ: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20260111212748110479173 Date: Reported by: FTIR.fun Contact: [email protected]

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Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
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Based on the library matches and evidence above.

Conclusion

Oxygen‑rich organic material (potential carbohydrate, polyol, or polyether)

General assessment
समग्र आत्मविश्वास
#2057 Initial rank 1 Current rank 1 Library lead match 82.7%
Conclusion
  1. Direct literature sources support the methyl, alkyl C–H, and C–O single bond assignments observed in the sample.
  2. The related‑literature interpretation explicitly links the 1393 and 2987 cm⁻¹ peaks to methyl symmetric vibrations (S6).
  3. The band at 733 cm⁻¹ is consistent with aliphatic C–H bending and is supported by literature assignment to alkyl C–H [2].
Main limitation

Several literature‑assigned groups (phosphate at 902 cm⁻¹ [6], silicon‑oxygen at 954 cm⁻¹ [3], terephthalate at 1393 cm⁻¹ [11]) are chemically distant from the dominant oxygen‑rich organic signature and suggest possible co‑existing inorganic phases or contamination, limiting confidence in a pure organic identification.

Evidence & interpretation
Evidence

Key evidence

लाइब्रेरी मुख्य मिलान
(2R,3R,4S,5S,6R)-2-[(2S,3S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol #2057 | match 82.7%
सामग्री दिशा
Oxygen‑rich organic material (potential carbohydrate, polyol, or polyether) The FTIR spectrum is dominated by signals from aliphatic C–H and oxygenated functional groups, pointing to an oxygen‑rich organic matrix. The nearest library match is the fructan trisaccharide 1‑kestose, but the overall evidence pattern does not uniquely confirm a single molecular identity; a broader classification as a carbohydrate‑like or polyether‑type organic is more defensible.
Supporting peaks
667 cm-1 733 cm-1 902 cm-1 954 cm-1 1076 cm-1 1393 cm-1 1974 cm-1 2036 cm-1
Supporting groups
methyl aromatic alkyl_c_h c_o_single_bond oxygen ring
Support

Evidence supporting the conclusion

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

  1. The FTIR spectrum is dominated by signals from aliphatic C–H and oxygenated functional groups, pointing to an oxygen‑rich organic matrix. The nearest library match is the fructan trisaccharide 1‑kestose, but the overall evidence pattern does not uniquely confirm a single molecular identity; a broader classification as a carbohydrate‑like or polyether‑type organic is more defensible.
  2. Direct literature sources support the methyl, alkyl C–H, and C–O single bond assignments observed in the sample.
  3. The related‑literature interpretation explicitly links the 1393 and 2987 cm⁻¹ peaks to methyl symmetric vibrations (S6).
  4. The band at 733 cm⁻¹ is consistent with aliphatic C–H bending and is supported by literature assignment to alkyl C–H [2].
  5. The pair of absorptions at 902 and 954 cm⁻¹ is attributable to =C–H out‑of‑plane bending and/or ether/epoxy ring vibrations, an interpretation found in analogical reports on polymeric and capsule materials.
  6. The strong, broad feature at 1076 cm⁻¹ is unequivocally assigned to C–O single bond stretching, as corroborated by direct literature evidence [4].
  7. Methyl group signatures are clear: the peak at 1393 cm⁻¹ corresponds to CH3 symmetric deformation, and the band at 2987 cm⁻¹ to CH3 symmetric stretching, consistent with the description in reference S6.
  8. Features above 2000 cm⁻¹ (2341, 2360 cm⁻¹) are characteristic of atmospheric CO2 and do not report on the sample’s intrinsic composition.
  9. The collective spectral evidence – abundant C–H, strong C–O, and possible alkene/ether/envelope – aligns with the carbohydrate‑/polyol‑type chemistry of the top‑1 library candidate but lacks the specificity required for full structural confirmation.
  10. Major peak assignments include 902: Related literature: =C–H out‑of‑plane bending or ether/epoxy ring vibrations (902, 954 cm⁻¹) | Direct reference: alkyl c h; c o single bond | Quality: The spectrum edges look truncated or baseline-shifted; 1076: Related literature: C–O / Si–O stretching (e.g., ether, polysaccharide, siloxane) | Direct reference: alkyl c h; c o single bond | Quality: The spectrum edges look truncated or baseline-shifted; 954: Related literature: =C–H out‑of‑plane bending or ether/epoxy ring vibrations (902, 954 cm⁻¹) | Direct reference: alkyl c h; c o single bond | Quality: The spectrum edges look truncated or baseline-shifted; 733: Related literature: carbonate or mineral oxide bending vibrations (667 and 733 cm⁻¹) | Direct reference: alkyl c h; c o single bond | Quality: The spectrum edges look truncated or baseline-shifted.
Limitations

Evidence that limits the conclusion

  • Several literature‑assigned groups (phosphate at 902 cm⁻¹ [6], silicon‑oxygen at 954 cm⁻¹ [3], terephthalate at 1393 cm⁻¹ [11]) are chemically distant from the dominant oxygen‑rich organic signature and suggest possible co‑existing inorganic phases or contamination, limiting confidence in a pure organic identification.
  • The library direction label (“alkene / methoxy”) deviates from the structural class of the top‑1 candidate, indicating that the spectral similarity may be driven by global shape rather than a precise chemical match.
  • The actual material could be a mixture of an organic matrix with minor inorganic components, and the exact molecular identity remains unresolved.
Recommendation

Suggested next verification

  • Perform complementary analyses such as ¹H/¹³C NMR or high‑resolution mass spectrometry to resolve the organic structure.
  • If the presence of inorganic residues (e.g., phosphate, silicate) is suspected, X‑ray fluorescence (XRF) or energy‑dispersive X‑ray spectroscopy (EDS) can clarify their identity.
  • Acquire the spectrum under strictly purged conditions to eliminate atmospheric CO2 contributions, facilitating assessment of any native carbonyl or nitrile bands in the 2100–2400 cm⁻¹ region.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 ★ 902 1.00 सादृश्य साहित्य असाइनमेंट 902 cm-1 पर बैंड को =C–H out‑of‑plane bending or ether/epoxy ring vibrations (902, 954 cm⁻¹)[S5] को सौंपा गया है। [S5] समग्र आत्मविश्वास
2 ★ 1076 0.91 साहित्य-समर्थित असाइनमेंट 1076 cm-1 पर बैंड को C-O single bond[RC1551] को सौंपा गया है। [RC1551] LLM विश्वास
3 ★ 954 0.83 सादृश्य साहित्य असाइनमेंट 954 cm-1 पर बैंड को =C–H out‑of‑plane bending or ether/epoxy ring vibrations (902, 954 cm⁻¹)[S5] को सौंपा गया है। [S5] समग्र आत्मविश्वास
4 ★ 733 0.61 साहित्य-समर्थित असाइनमेंट 733 cm-1 पर बैंड को alkyl C-H[2] को सौंपा गया है। [2] LLM विश्वास
5 · 667 0.50 - - - -
6 ★ 1393 0.26 साहित्य-समर्थित असाइनमेंट 1393 cm-1 पर बैंड को methyl (CH3) symmetric deformation and stretching[S6] को सौंपा गया है। [S6] समग्र आत्मविश्वास
7 · 2360 0.24 - - - -
8 · 2341 0.19 - - - -
9 ★ 2987 0.12 साहित्य-समर्थित असाइनमेंट 2987 cm-1 पर बैंड को methyl (CH3) symmetric deformation and stretching[S6] को सौंपा गया है। [S6] समग्र आत्मविश्वास
10 · 2157 0.12 - - - -
11 · 2036 0.12 - - - -
12 · 1974 0.11 - - - -
Literature

References

No. Title DOI Page
[1] Starowicz 等 - 2014 - Alumina-based nanoparticles obtained by anodic dis - -
[2] Omar 等 - 2023 - Investigation of morphological, structural and ele - -
[3] Madadi 和 Wei - 2022 - Characterization of Calcium Silicate Hydrate Gels - -
[4] Lando 等 - 2017 - UV-Surface Treatment of Fungal Resistant Polyether - -
[5] Khan 等 - 2004 - Effects of post-annealing on the infrared active p - -
[6] Ismail 等 - 2016 - Effects of titanium nanoparticles on self-cleaning - -
[7] Gutierrez 等 - 2012 - Liquid phase hydrogenation of crotonaldehyde over - -
[8] Gorniak 等 - 2023 - Screening of Fenofibrate-Simvastatin Solid Dispers - -
[9] Farzin 等 - 2020 - Low-temperature synthesis of Sr2FeMoO6 double pero - -
[10] Dong 等 - 2019 - Study on Pyrolysis Characteristics of Coal and Com - -
[11] Butova 等 - 2023 - In Situ FTIR Spectroscopy for Scanning Accessible - -
[12] 0816 ftir cm_1 peak wos/yuan 等 - 1999 - characterization of co- and h-2-adsorbed au6pt-pho.pdf - -
[S1] Piazzalunga 等 - 2013 - Optimisation of analytical procedures for the quan - 9
[S2] Kert 等 - 2021 - Application of Fragrance Microcapsules onto Cotton - 13
[S3] Sciutto 等 - 2017 - A Multivariate Methodological Workflow for the Ana - 9
[S6] Arivazhagan 和 Rexalin - 2013 - Vibrational spectra, UV-vis spectral analysis and - 9
[S7] Martinez 等 - 2013 - New bifunctional Ni-H-Beta catalysts for the heter - 42
[RC1551] Hernandez-Fernandez 等 - 2023 - Identifying, Quantifying, and Recovering a Sorbito - 10
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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