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aromatic / methoxy

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Номер на резултат: 20250817161407509258504 Собственик: publicuser Коментари: 1
  • Translating report into български. English is shown for now.
FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250817161407509258504 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 / methoxy

General assessment
Увереност на LLM
#18265 Current rank 1 Library lead match 0.0%
Conclusion
  1. Direct literature evidence assigns the 2848 cm⁻¹ peak to alkyl C-H stretching, supporting the presence of aliphatic hydrocarbon chains [1].
  2. The 3259 cm⁻¹ peak is supported by literature attributing it to hydroxyl groups, likely due to hydrogen-bonded O-H stretching [2].
  3. Related literature references corroborate symmetric CH₂ stretching at similar wavenumbers (e.g., 2849 cm⁻¹) in diverse organic materials, reinforcing the aliphatic C-H assignment.
Main limitation

The absence of sulfonamide-characteristic S=O stretching bands (expected near 1350–1300 and 1170–1140 cm⁻¹) contradicts the library’s highest-ranked name, Benzenesulfonamide.

Evidence & interpretation
Evidence

Key evidence

Съвпадение по библиотечен водещ
Benzenesulfonamide #18265 | match 0.0%
Посока на материала
aromatic / methoxy The sample spectrum is most consistent with an aromatic/methoxy organic compound, as indicated by the reference library comparison pattern. The top library match Benzenesulfonamide has very low similarity, and the spectral evidence points toward a hydroxyl- or amine-containing material with alkyl and aromatic structural features.
Supporting peaks
2848 cm-1 3259 cm-1
Supporting groups
alkyl_c_h c_c_single_bond aromatic methyl n_h oxygen c_h_stretching_(ch,_ch2,_ch3_symmetric_and_asymmetric)
Support

Evidence supporting the conclusion

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

  1. The sample spectrum is most consistent with an aromatic/methoxy organic compound, as indicated by the reference library comparison pattern. The top library match Benzenesulfonamide has very low similarity, and the spectral evidence points toward a hydroxyl- or amine-containing material with alkyl and aromatic structural features.
  2. Direct literature evidence assigns the 2848 cm⁻¹ peak to alkyl C-H stretching, supporting the presence of aliphatic hydrocarbon chains [1].
  3. The 3259 cm⁻¹ peak is supported by literature attributing it to hydroxyl groups, likely due to hydrogen-bonded O-H stretching [2].
  4. Related literature references corroborate symmetric CH₂ stretching at similar wavenumbers (e.g., 2849 cm⁻¹) in diverse organic materials, reinforcing the aliphatic C-H assignment.
  5. The strong band at 2848 cm⁻¹ is characteristic of symmetric aliphatic C-H stretching, commonly observed in alkyl chains [1].
  6. The broad absorption near 3259 cm⁻¹ is consistent with O-H or N-H stretching vibrations; literature attributes similar broad bands to hydroxyl groups engaged in hydrogen bonding [2].
  7. The library search returns Benzenesulfonamide as the nearest match, but with a similarity of 0.0, and the Top-15 library consensus highlights aromatic and methoxy functionalities without clear sulfonamide markers.
  8. No characteristic sulfonamide S=O stretching bands (typically in the 1350–1140 cm⁻¹ region) are observed, which argues against a confident sulfonamide assignment.
  9. Major peak assignments include 3259: Related literature: O-H / N-H stretching peak | Direct reference: oxygen; ring 6m; 2848: Related literature: C-H stretching (aliphatic) peak pattern | Direct reference: alkyl c h; oxygen.
Limitations

Evidence that limits the conclusion

  • The absence of sulfonamide-characteristic S=O stretching bands (expected near 1350–1300 and 1170–1140 cm⁻¹) contradicts the library’s highest-ranked name, Benzenesulfonamide.
  • The sample spectrum shows only two interpretable peaks; many expected bands for a pure sulfonamide are missing, weakening a specific structural claim.
  • The broad, weak band at 3259 cm⁻¹ cannot unambiguously differentiate between O-H and N-H stretching, so the material could be a hydroxyl, amine, or mixed oxygen/nitrogen compound.
  • Without fingerprint region data (below 1500 cm⁻¹), the identity of the aromatic/methoxy component and the presence of additional functional groups remain undefined.
  • The library confidence is very low (15%), and the retrieved Benzenesulfonamide label is not supported by direct spectral evidence beyond the aromatic/methoxy trend.
Recommendation

Suggested next verification

  • Acquire a higher-quality FTIR spectrum covering the fingerprint region (600–1500 cm⁻¹) to probe for sulfonamide S=O bands, aromatic ring skeletal modes, and other structure-specific vibrations.
  • Use complementary analytical methods such as GC-MS, NMR, or high-resolution mass spectrometry to confirm whether the material is a benzenesulfonamide derivative or a different aromatic/methoxy compound with hydroxyl or amine groups.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 ★ 3259 1.00 Присвояване по аналогия от литературата Лентата при 3259 cm-1 е присвоена на O-H / N-H stretching peak[S3]. [S3] Увереност на LLM
2 ★ 2848 0.12 Присвояване, подкрепено от литература Лентата при 2848 cm-1 е присвоена на alkyl C-H[RC377]. [RC377] Увереност на LLM
Literature

References

215 local KG peak-level literature source(s) kept in the candidate pool; peaks 2848, 3259; groups akd, aldehyde, aliphatic_c_h_stretching_vibrations_of_ch_and_ch, aliphatic_ch,_ch2.

No. Title Page
[1] Bakirdere 等 - 2015 - Molecular characterization of silver-stearate nano -
[2] Ashwini 等 - 2021 - Synthesis and Characterization of Zinc Oxide Nanop -
[S1] Arjunan 等 - 2001 - Fourier transform infrared and Raman spectral anal 4
[S3] Kert 等 - 2021 - Application of Fragrance Microcapsules onto Cotton 12
[S4] Kupryaniuk 等 - 2021 - The Influence of the Pressure-Thermal Agglomeratio 19
[S6] Xaba 等 - 2022 - Optimization of primary sewage sludge and coal lig 15
[RC377] Zhai 等 - 2020 - Preparation, Characterization of Propargyl Termina 3
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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  • 18 Авг '25

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