RESULT PAGE

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

View the report above. Use the comments below if you need follow-up discussion.

Result No.: 20250729045546460431846 Owner: publicuser Comments: 1
FTIR Analysis Report Low confidence

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

Sample & Measurement Parameters

Report No. 20250729045546460431846
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 28%

Identification Result

28%

The sample exhibits bands characteristic of unsaturated (C=C) and hydroxyl groups, together with features attributable to aliphatic C-H, aromatic or C-N vibrations, and a distinct phenolic O-H absorption. Library matching gives a weak top hit propan-2-yl nitrate (15% confidence), but the shared top‑15 chemistry points consistently to alkene/methyl compounds. The overall spectral pattern is consistent with a small organic molecule containing unsaturation and hydroxy/phenolic groups, possibly with nitrogen‑bearing functionality; a definitive structural identification is not possible with the currently available evidence FTIR In-Depth Interpretation was not selected for this task, so this section shows the library-search result only and no deep AI interpretation was run.

Detailed interpretation

  • Top library match: propan-2-yl nitrate #370
  • 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.

Recommended next steps: 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.

Library Comparison

Library spectrum will appear here.

Library Search Results — Top 15 Candidates

Rank Match % Compound SMILES Spectrum No. Action
Loading library candidates...

Peak Analysis

★ = Literature-supported assignment
# Wavenumber (cm⁻¹) Absorbance Assignment Citation Assignment status
1 · 1378 1.00 - - -
2 · 1610 0.37 - - -
3 · 1280 0.29 - - -
4 · 3539 0.17 - - -
5 · 754 0.13 - - -
6 · 3176 0.12 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250729045546460431846
Discussion

Comments and follow-up evidence

Use this area to continue the interpretation, ask questions, or add extra verification evidence.

The above shows the FTIR analysis results of a png file uploaded by a user from Egypt. The original image and extracted CSV file are displayed below.20250729045546460431846.pngtem.csv

en&2
Submit Requirement Form