RESULT PAGE

aromatic carbonyl-containing organic material, possibly with additional C-O functionality

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

Result No.: 20250711131345830504870 Owner: publicuser Comments: 1
FTIR Analysis Report

aromatic carbonyl-containing organic material, possibly with additional C-O functionality

Sample & Measurement Parameters

Report No. 20250711131345830504870
Date 2025-07-12 14:00:58
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The FTIR search does not support a firm compound-level identification for this sample. The nearest library entry is 2-methyl-3-oxo-3-phenylpropanenitrile, but the match confidence is effectively absent, so that name should be treated only as the top library hit rather than a confirmed assignment. The observed spectrum is more safely described as an aromatic organic material containing a strong carbonyl band, with additional fingerprint-region bands consistent with C-O-containing functionality and substituted aromatic ring vibrations

Detailed interpretation

  • Top library match: 2-methyl-3-oxo-3-phenylpropanenitrile #117
  1. The FTIR search does not support a firm compound-level identification for this sample. The nearest library entry is 2-methyl-3-oxo-3-phenylpropanenitrile, but the match confidence is effectively absent, S-O that name should be treated only as the top library hit rather than a confirmed assignment. The observed spectrum is more safely described as an aromatic organic material containing a strong carbonyl band, with additional fingerprint-region bands consistent with C-O-containing functionality and substituted aromatic ring vibrations.
  • The leading library hit has zero reported similarity, which is not sufficient to confirm 2-methyl-3-oxo-3-phenylpropanenitrile as the sample identity.
  • No clear nitrile-supporting band is present near the expected 2210-2260 cm-1 region, which limits support for the specific top library candidate.
  • The Top-15 library candidates do not share a single consistent chemistry, which weakens direction based on retrieval alone.
  • It remains unclear whether the carbonyl feature is best explained by an ester, ketone, aldehyde, carbonate, or a mixture of oxygenated components.
  • The current evidence does not establish whether the sample is a discrete small molecule, an additive, or part of a polymeric/oligomeric material.
  • Potential nitrile, sulfonate, halogenated, or fluorinated interpretations are not supported strongly enough by the reported peak list.

Recommended next steps: Inspect the full spectrum, especially 3600-2500 cm-1 and 2300-2100 cm-1, to check for O-H and nitrile bands that would strongly refine the assignment. Compare the sample directly against reference spectra for aromatic esters, aromatic ketones, and aromatic carbonate-containing materials, since these are more consistent with the observed carbonyl and C-O pattern than the nominal top hit alone. If available, run complementary GC-MS or LC-MS for a small-molecule sample, or Raman/ATR-FTIR comparison against known polymer/additive standards if the sample is from a formulated material. Verify whether the paired 1724/1698 cm-1 feature persists across repeat measurements; if S-O, consider the possibility of multiple components or conjugated carbonyl environments.

Library Comparison

Match group:
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 · 1211 1.00 - - -
2 · 1159 0.33 - - -
3 · 1724 0.30 - - -
4 · 1698 0.30 - - -
5 · 1064 0.25 - - -
6 · 1525 0.18 - - -
7 · 1506 0.17 - - -
8 · 820 0.12 - - -
9 · 1305 0.11 - - -
10 · 773 0.11 - - -
11 · 1408 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250711131345830504870 2025-07-12 14:00:58
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 pdf file uploaded by a user from Brazil . The original image is displayed below.1.png CSV file :tem.csv

en&2
Submit Requirement Form