RESULT PAGE

nitrogen-containing organic compound with aromatic/alkene and carboxylate/amide functionalities

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Result No.: 20250927121427720172823 Owner: publicuser Comments: 0
FTIR Analysis Report Low confidence

nitrogen-containing organic compound with aromatic/alkene and carboxylate/amide functionalities

Sample & Measurement Parameters

Report No. 20250927121427720172823
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 29%

Identification Result

29%

The FTIR spectrum indicates a nitrogen-rich organic material bearing aromatic or alkene unsaturation, along with carboxylate and amide groups. Direct spectral assignments support the presence of C–N, C=O, N–H, O–H, and C–S functionalities, but the extremely low confidence library match to “azane; formic acid” (0.00) means the specific molecular identity remains undetermined 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: azane; formic acid #28915
  • The library search returned an extremely low similarity match to “azane; formic acid”, indicating that no closely related spectrum exists in the database; the exact molecular identity cannot be established from the FTIR data alone.
  • Absence of strong aliphatic C–H stretching bands above 2800 cm⁻¹ suggests limited long-chain hydrocarbon content, which is atypical for simple aliphatic polymers or hydrocarbons.
  • The assignment of the 1102 cm⁻¹ band to C–S relies on a single literature source; the band could alternatively arise from C–O or P–O vibrations, and sulfur may not be present.
  • The 1629 cm⁻¹ band is complex and may include overlapping contributions from carbonyl, aromatic C=C, and N–H deformation modes, thereby reducing the specificity of the identification.

Recommended next steps: Complementary techniques such as elemental analysis, X-ray photoelectron spectroscopy (XPS), or mass spectrometry are recommended to determine the presence of nitrogen and sulfur, and to clarify the elemental composition. Comparison of the spectrum with reference libraries of nitrogen heterocycles, amides, and carboxylate salts could improve the library match. If the sample is available, conducting a solubility test and measuring the spectrum in different solvents or after derivatization may help isolate the key functional groups.

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 · 1384 1.00 - - -
2 · 1399 0.75 - - -
3 · 3160 0.57 - - -
4 · 3435 0.56 - - -
5 · 1629 0.31 - - -
6 · 1102 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250927121427720172823
Discussion

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