FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20260107063622124646938 Date: Reported by: FTIR.fun Contact: [email protected]

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Top15

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Library spectrum will appear here.

Infrared spectrum comparison chart. Analysis result: Aromatic compound with hydroxyl and amine/amide functionalities.

The FTIR spectrum indicates an aromatic compound containing hydroxyl and amine/amide groups. Aromatic C-H in-plane bending modes at 1010 and 1017 cm−1, combined with a characteristic N-H stretching triplet in the 3268–3308 cm−1 region, point to an aromatic amine or amide structure with additional O-H contributions. The presence of methoxy or alkoxy substituents cannot be excluded but is not definitively confirmed

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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 compound with hydroxyl and amine/amide functionalities

Library direction

Độ tin cậy tổng thể

#18949 Current rank 1 Library lead match 93.6%

Conclusion

Direct peak-to-literature correlations confirm O-H stretching at 3308 cm−1 (melanoidins) [1] and 3282 cm−1 (platelet-rich fibrin) [3], and N-hydroxyl at 3268 cm−1 (polymer-supported N-hydroxyphthalimide) [4], all compatible with a hydroxylated aromatic amine.
The strong library similarity to furan-3-ylmethanol (aromatic furan with primary alcohol) further supports an aromatic alcohol core, while the top-15 candidates frequently contain methoxy and amide motifs.
Reference interpretation (Arivazhagan and Rexalin, 2013) explicitly attributes the 1010 and 1017 cm−1 features to aromatic C-H bending with minor ring asymmetric deformation, reinforcing the aromatic assignment.

Main limitation

The 1017 cm−1 band has also been assigned to silicon-oxygen stretching [5]; however, this is inconsistent with the predominantly organic spectral character and the absence of silicate-related bands in the library top candidates.

Evidence

Key evidence

Kết quả khớp hàng đầu từ thư viện

furan-3-ylmethanol #18949 | match 93.6%

Hướng vật liệu

Aromatic compound with hydroxyl and amine/amide functionalities The FTIR spectrum indicates an aromatic compound containing hydroxyl and amine/amide groups. Aromatic C-H in-plane bending modes at 1010 and 1017 cm−1, combined with a characteristic N-H stretching triplet in the 3268–3308 cm−1 region, point to an aromatic amine or amide structure with additional O-H contributions. The presence of methoxy or alkoxy substituents cannot be excluded but is not definitively confirmed.

Supporting peaks

1010 cm-1 1017 cm-1 3268 cm-1 3282 cm-1 3308 cm-1

Supporting groups

n_h aromatic methyl oxygen ring nitrogen ch_bending ring_asymmetric_deformation

Support

Evidence supporting the conclusion

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

The FTIR spectrum indicates an aromatic compound containing hydroxyl and amine/amide groups. Aromatic C-H in-plane bending modes at 1010 and 1017 cm−1, combined with a characteristic N-H stretching triplet in the 3268–3308 cm−1 region, point to an aromatic amine or amide structure with additional O-H contributions. The presence of methoxy or alkoxy substituents cannot be excluded but is not definitively confirmed.
Direct peak-to-literature correlations confirm O-H stretching at 3308 cm−1 (melanoidins) [1] and 3282 cm−1 (platelet-rich fibrin) [3], and N-hydroxyl at 3268 cm−1 (polymer-supported N-hydroxyphthalimide) [4], all compatible with a hydroxylated aromatic amine.
The strong library similarity to furan-3-ylmethanol (aromatic furan with primary alcohol) further supports an aromatic alcohol core, while the top-15 candidates frequently contain methoxy and amide motifs.
Reference interpretation (Arivazhagan and Rexalin, 2013) explicitly attributes the 1010 and 1017 cm−1 features to aromatic C-H bending with minor ring asymmetric deformation, reinforcing the aromatic assignment.
The bands at 1010 and 1017 cm−1 are assigned to aromatic C-H in-plane bending and ring asymmetric deformation, consistent with an aromatic ring system (PC5, PC6).
The broad absorption envelope with maxima at 3268, 3282, and 3308 cm−1 is characteristic of N-H stretching vibrations in amines/amides, corroborated by multiple literature reports of similar patterns in amide-containing materials (PC71–PC73).
Additional O-H stretching contributions from hydroxyl groups are indicated by literature assignments for the same peaks [1,3,4], supporting the presence of both N-H and O-H functionality.
Major peak assignments include 1017: Related literature: C-H in-plane bending / ring asymmetric deformation (aromatic); Si-O stretching (silicate/siloxane) | Direct reference: n h; oxygen; 1010: Related literature: C-H in-plane bending / ring asymmetric deformation (aromatic); Si-O stretching (silicate/siloxane) | Direct reference: n h; oxygen; 3268: Related literature: N-H stretching (amines/amides) | Direct reference: n h; oxygen; 3282: Related literature: N-H stretching (amines/amides) | Direct reference: n h; oxygen.

Limitations

Evidence that limits the conclusion

The 1017 cm−1 band has also been assigned to silicon-oxygen stretching [5]; however, this is inconsistent with the predominantly organic spectral character and the absence of silicate-related bands in the library top candidates.
The exact molecular structure remains ambiguous because the N-H signals cannot be explained by the library top-1 candidate (furan-3-ylmethanol), which lacks nitrogen.
It is unclear whether the sample is a mixture of an aromatic amine/amide and a hydroxyl component, or a single compound containing both functionalities.

Recommendation

Suggested next verification

Elemental analysis (especially for nitrogen) and NMR spectroscopy are recommended to confirm the amine/amide nature and to resolve structural details.
If a mixture is suspected, chromatographic separation (e.g., GC-MS or LC-MS) could help isolate and identify individual components.

Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index	Characteristic	Wavenumber	Absorbance	Evidence	One-line interpretation	Citation	Confidence
1	★	1017	1.00	Gán hỗ trợ bởi tài liệu	Dải tại 1017 cm-1 được gán cho C-H in plane bending / ring asymmetric deformation (aromatic)[S1].	[S1]	Độ tin cậy LLM
2	★	1010	0.71	Gán hỗ trợ bởi tài liệu	Dải tại 1010 cm-1 được gán cho C-H in plane bending / ring asymmetric deformation (aromatic)[S1].	[S1]	Độ tin cậy LLM
3	★	3268	0.24	Gán văn học tương tự	Dải tại 3268 cm-1 được gán cho N-H stretching (amines/amides)[S2][S3][S4].	[S2], [S3], [S4]	Độ tin cậy LLM
4	★	3282	0.24	Gán văn học tương tự	Dải tại 3282 cm-1 được gán cho N-H stretching (amines/amides)[S2][S3][S4].	[S2], [S3], [S4]	Độ tin cậy LLM
5	★	3308	0.24	Gán văn học tương tự	Dải tại 3308 cm-1 được gán cho N-H stretching (amines/amides)[S2][S3][S4].	[S2], [S3], [S4]	Độ tin cậy LLM

Literature

References

263 local KG peak-level literature source(s) kept in the candidate pool; peaks 1010, 1017, 3268, 3282, 3308; groups =c_h_in_plane_deformation, acetylene, acids, alkene.

No.	Title	Page
[1]	Patrignani 和 Gonzalez-Forte - 2021 - Characterisation of melanoidins derived from Brewe	-
[2]	Gregorio 等 - 2017 - Analysis of human bodily fluids on superabsorbent	-
[3]	Egle 等 - 2022 - Injectable Platelet-Rich Fibrin as a Drug Carrier	-
[4]	Culica 等 - 2019 - Recyclable Polymer-Supported N-Hydroxyphthalimide	-
[5]	Ashby 等 - 2013 - The effect of alkyl chain length on the level of c	-
[S1]	Arivazhagan 和 Rexalin - 2013 - Vibrational spectra, UV-vis spectral analysis and	5
[S2]	Kert 等 - 2021 - Application of Fragrance Microcapsules onto Cotton	13
[S3]	Sciutto 等 - 2017 - A Multivariate Methodological Workflow for the Ana	10
[S6]	Zviagina 等 - 2020 - Distinguishing Features and Identification Criteri	8

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:

Aromatic compound with hydroxyl and amine/amide functionalities

FTIR Spectrum Analysis Report

Similarity-ranked Top-15 library comparison

Reference library candidates

Aromatic compound with hydroxyl and amine/amide functionalities

Key evidence

Evidence supporting the conclusion

Evidence that limits the conclusion

Suggested next verification

Detected peaks and interpretation

References

Sample information and raw spectrum

Bình luận và bằng chứng tiếp theo

Hỗ trợ trực tuyến

Aromatic compound with hydroxyl and amine/amide functionalities

Similarity-ranked Top-15 library comparison

Reference library candidates

Aromatic compound with hydroxyl and amine/amide functionalities

Key evidence

Evidence supporting the conclusion

Evidence that limits the conclusion

Suggested next verification

Detected peaks and interpretation

References

Sample information and raw spectrum

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