RESULT PAGE

substituted aromatic compound with heteroatom-containing functionality, likely not securely assignable to a single specific library compound from the present FTIR evidence

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Result No.: 20250623141320691659570 Owner: publicuser Comments: 1
FTIR Analysis Report

substituted aromatic compound with heteroatom-containing functionality, likely not securely assignable to a single specific library compound from the present FTIR evidence

Sample & Measurement Parameters

Report No. 20250623141320691659570
Date 2025-06-26 12:10:17
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The present FTIR evidence does not support a firm material identification at the level of a specific library compound. Although the nearest library hit is 1-Chloro-2-iodobenzene, the retrieval confidence is effectively zero and the broader Top-15 pattern is chemically inconsistent rather than convergent. The observed bands at about 1601 cm-1 and 1008 cm-1 are compatible with an aromatic-containing material, while the feature near 3288 cm-1 indicates a heteroatom-bonded X-H group such as O-H or N-H that is not expected for 1-Chloro-2-iodobenzene. Bands near 1200 and 1330 cm-1 further suggest C-O, C-N, or related heteroatom-associated vibrations. Taken together, the spectrum is more safely described as a substituted aromatic compound with heteroatom-containing functionality than as the named library compound

Detailed interpretation

  • Top library match: 1-Chloro-2-iodobenzene #113
  • 1-Chloro-2-iodobenzene does not contain an O-H or N-H group, S-O the observed 3288 cm-1 band argues against that specific assignment.
  • The current spectrum does not provide distinctive support for the exact halogen pattern implied by 1-Chloro-2-iodobenzene.
  • The peak list is sparse, S-O important confirming or excluding bands may be missing from the present interpretation.
  • The 3288 cm-1 feature could reflect O-H, N-H, or possibly moisture contribution; without band shape and full-spectrum context its origin remains uncertain.
  • Fingerprint-region bands at 1008, 1200, and 1330 cm-1 are not sufficiently distinctive on their own to choose among alcohol, amine, ether, phenolic, or other substituted aromatic possibilities.
  • Because the library match quality is effectively non-discriminating, the named library compound should be treated only as the nearest database entry, not as a supported identification.

Recommended next steps: Reacquire the full FTIR spectrum with attention to band shape and intensity in the 3600-3000 cm-1 region to determine whether the 3288 cm-1 feature is a true O-H/N-H band or residual moisture. Inspect the 1800-600 cm-1 region for confirming aromatic substitution features and for bands that would distinguish phenol/alcohol, amine, ether, nitro, or sulfonyl functionality. If halogenated aromatic identity is still being considered, confirm by GC-MS or LC-MS because FTIR alone is not securely supporting the specific chloro-iodobenzene assignment here. If the sample is expected to be a solid or formulated material, compare replicate spectra after drying to see whether the 3288 cm-1 band persists.

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 · 1008 1.00 - - -
2 · 1200 0.16 - - -
3 · 3288 0.15 - - -
4 · 1330 0.14 - - -
5 · 1601 0.12 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250623141320691659570 2025-06-26 12:10:17
Discussion

Comments and follow-up evidence

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The above shows the FTIR analysis results of a PNG file uploaded by a user from The Philippines . The original image is displayed below.20250623141320691659570.png Extracted CSV file:tem.csv

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