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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250729045546460431846 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

Organic compound with alkene/aromatic unsaturation and hydroxy/phenolic functionalities, likely containing nitrogen

Low confidence
Conclusion
  1. Direct literature evidence explicitly relates the bands at 1610, 1280, 1378, 754, 3176, and 3539 cm-1 to C=C, alkyl C-H, C-H bending, C-N, phenolic, and hydroxyl groups, respectively, in various organic and hybrid materials [1–6].
  2. The top-15 library consensus features alkene and methyl as the dominant chemical motifs, reinforcing the unsaturated hydrocarbon character of the sample.
  3. The band at 1610 cm-1 is assigned to a C=C double bond vibration, consistent with the explicit report of this mode by Nardi et al. (2013) for a UV‑cured polymer nanocomposite [1].
Evidence & interpretation
Evidence

Key evidence

Library lead candidate
propan-2-yl nitrate #370
Limitations

Evidence that limits the conclusion

  • The library top match propan-2-yl nitrate is very weak (similarity 0.0, 15% confidence), and characteristic nitrate ester bands (e.g., N-O stretch near 860 cm-1) are absent from the sample spectrum, making this specific identification unsupported.
  • The C-N assignment at 754 cm-1 originates from a study on mineral‑doped silica gel, and its direct relevance to an organic‑matrix sample is uncertain.
  • The analogical literature evidence for C-N stretching at 1280 cm-1 from cross‑linked PVA hybrid membranes is only suggestive and cannot be taken as a definitive assignment.
  • Many of the cited literature sources deal with materials (polymers, nanoparticles, biological extracts, mineral composites) that may differ significantly from the composition of the current sample, reducing the transferable certainty of the peak assignments.
  • The exact nature of the unsaturation (aliphatic C=C vs. aromatic ring) cannot be determined without additional characteristic bands, such as aromatic C-H stretches above 3000 cm-1 or ring‑breathing modes in the 1450–1600 cm-1 region.
Recommendation

Suggested next verification

  • To reduce the present uncertainty, obtain a higher‑resolution spectrum, especially in the fingerprint region (400–1500 cm-1), to search for weaker but structurally indicative bands.
  • Complementary analysis by mass spectrometry or nuclear magnetic resonance spectroscopy is recommended to confirm the presence of nitrogen and to resolve whether the unsaturation is olefinic or aromatic.
  • If the sample is a known reaction product or mixture, comparison with a verified reference standard of the suspected compound would greatly improve the reliability of the peak assignments.
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 ★ 1378 1.00 Literature-supported assignment The band at 1378 cm-1 is assigned to C-H asymmetric + symmetric bending. [3] High confidence
2 ★ 1610 0.37 Literature-supported assignment The band at 1610 cm-1 is assigned to c=c double bond. [1] High confidence
3 ★ 1280 0.29 Literature-supported assignment The band at 1280 cm-1 is assigned to alkyl C-H vibration. [6] High confidence
4 ★ 3539 0.17 Analogical literature assignment The band at 3539 cm-1 is assigned to O-H stretching (hydroxyl). [8] Moderate confidence
5 ★ 754 0.13 Literature-supported assignment The band at 754 cm-1 is assigned to c n single bond. [1] -
6 ★ 3176 0.12 Literature-supported assignment The band at 3176 cm-1 is assigned to phenolic. [7] Moderate confidence
Literature

References

No. Title DOI Page
[1] Nardi 等 - 2013 - UV-cured transparent magnetic polymer nanocomposit 10.1016/j.polymer.2013 -
[2] El Felss 等 - 2020 - Structural study of the effect of mineral additive 10.1007/s10971-020-05385-x -
[3] Cebi - 2021 - Quantification of the Geranium Essential Oil, Palm 10.3390/foods10081848 -
[4] Kert 等 - 2021 - Application of Fragrance Microcapsules onto Cotton 10.3390/coatings11101181 12
[5] Ashraf 等 - 2022 - Novel Silica Functionalized Monosodium GlutamateP 10.21203/rs.3.rs-283846/v1 28
[6] Tyubaeva 等 - 2023 - Development of Nonwoven Fibrous Materials Based on 10.3390/polym15153167 7
[7] Roy 等 - 2020 - Exploring the Inclusion Complex of a Drug (Umbelli 10.1021/acsomega.0c04716 3
[8] Mosenfelder 等 - 2022 - Coupled hydrogen and fluorine incorporation in gar 10.2138/am-2021-7880 62
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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
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