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RESULT PAGE

Aromatic ring-containing amide/urea material, possibly with methacrylate components

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Result No.: 20260422091423878612012 Owner: Wangl630 Comments: 0
FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20260422091423878612012 Date: Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

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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

Aromatic ring-containing amide/urea material, possibly with methacrylate components

Moderate confidence
Conclusion
  1. The amide I, II, and A band pattern is directly supported by the related reference on gelatin and chitosan films [4], where 1653 cm⁻¹ is assigned to Amide I (C=O stretch), 1552 cm⁻¹ to Amide II (N–H bend), and 3310 cm⁻¹ to Amide A (N–H stretch).
  2. The library top‑15 candidates cluster around aromatic and aliphatic ureas (phenylurea, cyclohexylurea) as well as poly(acrylamide) and poly(methylacrylamide), providing a strong library‑based direction toward amide/urea chemistry with ring components.
  3. The amide I band at 1653 cm⁻¹ (C=O stretch), amide II at 1552 cm⁻¹ (N–H bend coupled with C–N stretch), and the broad N–H stretching absorption centred near 3310 and 3424 cm⁻¹ form a characteristic amide pattern that closely matches gelatin films [4].
Evidence & interpretation
Evidence

Key evidence

Library lead candidate
tert-Butylurea #49472
Limitations

Evidence that limits the conclusion

  • The library’s top hit, tert‑butylurea, is an aliphatic molecule that does not account for the aromatic bands observed at 1514, 1608, and 694 cm⁻¹, S-O a pure tert‑butylurea identification cannot be upheld.
  • Several library‑consistent groups, such as acetate, carboxyl, and ester, are suggested by the library similarity pattern but lack clearly resolved spectral signatures in the current sample.
  • The exact identity and extent of aromatic substitution remain uncertain; the material may be a mixture of ureas or an aromatic‑substituted urea derivative.
  • Without additional information (e.g., solubility, NMR), it is not possible to distinguish between a simple substituted urea, an amide‑containing polymer, or a composite that combines both functionalities.
Recommendation

Suggested next verification

  • Consider recording a high‑resolution spectrum in the 3600–2600 cm⁻¹ region to resolve individual N–H and O–H stretching components and confirm the degree of hydrogen bonding.
  • Elemental analysis or GC–MS would clarify whether methacrylate or acetate components are genuinely present, as indicated by the library consensus.
  • If the sample is suspected to be a mixture, fractionation (e.g., TLC, HPLC) followed by FTIR analysis of isolated components could help resolve the contributions of aromatic and aliphatic species.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

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Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1653 1.00 - - - -
2 ★ 1552 0.70 Literature-supported assignment The band at 1552 cm-1 is assigned to Protein-like amide I, II, and A pattern. [8] High confidence
3 ★ 1608 0.61 Literature-supported assignment The band at 1608 cm-1 is assigned to aromatic ring vibration. [9] High confidence
4 · 3424 0.54 - - - -
5 · 3310 0.49 - - - -
6 ★ 1514 0.31 Literature-supported assignment The band at 1514 cm-1 is assigned to aromatic ring vibration. [7] High confidence
7 ★ 1410 0.28 Literature-supported assignment The band at 1410 cm-1 is assigned to aromatic c n. [6] Low confidence
8 ★ 1358 0.22 Literature-supported assignment The band at 1358 cm-1 is assigned to c n single bond. [1] Moderate confidence
9 ★ 812 0.20 Literature-supported assignment The band at 812 cm-1 is assigned to C-H out of plane bending vibration of 1,2,4 tri substituted aromatic rings. [2] Low confidence
10 ★ 1245 0.15 Literature-supported assignment The band at 1245 cm-1 is assigned to amide. [5] Moderate confidence
11 ★ 694 0.14 Literature-supported assignment The band at 694 cm-1 is assigned to C-H bending vibration of benzene. [4] Moderate confidence
Literature

References

No. Title DOI Page
[1] Pulyalina 等 - 2022 - Effect of ionic liquid on formation of copolyimide 10.1038/s41598-022-12377-0 -
[2] pdf20231221 cm-1 infrared 第一部分/benykhlef 等 - 2016 - pani-derived polymeral2o3 nanocomposites synthes.pdf - -
[3] NAPIER 和 COLLINS - 1994 - FTIR CHARACTERISTICS OF HALOGENATED PHTHALOCYANINE - 10
[4] Wang 等 - 2019 - A Facile Synthesis of Core-Shell SiO2@Cu-LBMS Nano 10.3390/ma12233978 7
[5] Rasul 等 - 2022 - Development of antimicrobialantioxidant nanocompo 10.21203/rs.3.rs-337479/v1 33
[6] Hong 等 - 2022 - Underlying Mechanisms of Reductive Amination on Pd 10.3390/ijms23147621 4
[7] Garcia-Fuentevilla 等 - 2023 - Enzyme-Catalyzed Polymerization of Kraft Lignin fr 10.3390/polym15030513 11
[8] BenBettaieb 等 - 2015 - Spectroscopic analyses of the influence of electro 10.1016/j.foodhyd.2014.09.038 10
[9] Moldovan 等 - 2019 - Evaluation of the Degree of Conversion, Residual M 10.3390/ma12132109 6
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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
Discussion

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