RESULT PAGE

aromatic / methyl

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Result No.: 20260527223633455105179 Owner: thi_hoai_do Comments: 0
FTIR Analysis Report Moderate confidence

aromatic / methyl

Sample & Measurement Parameters

Report No. 20260527223633455105179
Date 2026-05-27 14:47:15
Spectral Range (cm⁻¹) [(400, 4000)]
Baseline AsLS baseline correction
Library match 73%

Identification Result

73%

The spectrum is consistent with a methyl-substituted aromatic material, based on strong library consensus. Observed carbonyl/amide bands conflict with the top library hit dimethylbenzenethiolate, so a broader aromatic/methyl material direction is indicated

Detailed interpretation

  • Top library match: 3,4-dimethylbenzenethiolate #90126
  1. The spectrum is consistent with a methyl-substituted aromatic material, based on strong library consensus. Observed carbonyl/amide bands conflict with the top library hit dimethylbenzenethiolate, S-O a broader aromatic/methyl material direction is indicated.
  • The specific S–H stretch expected around 2550–2600 cm⁻¹ is absent, weakening identification as a thiol.
  • The presence of amide/urethane C=O and N–H vibrations is incompatible with a simple thiol molecule.
  • It remains unclear whether the sample is a mixture containing thiol or sulfide species together with an amide-containing component, or whether the library match misleads due to shared aromatic–methyl absorbance without actual sulfur.

Recommended next steps: To test for sulfur, consider XPS or elemental analysis; to confirm amide/urethane, obtain a Raman spectrum or perform derivatization. If a thiol compound was expected, verify purity by complementary techniques such as melting point or GC–MS.

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 · 795 0.96 - - -
2 · 1482 0.95 - - -
3 · 1295 0.49 - - -
4 · 995 0.48 - - -
5 · 1141 0.48 - - -
6 · 775 0.48 - - -
7 · 2868 0.48 - - -
8 · 2949 0.48 - - -
9 · 1446 0.48 - - -
10 · 1644 0.01 - - -
11 · 1361 0.01 - - -
12 · 964 0.01 - - -
13 · 1026 0.01 - - -
14 · 1167 0.01 - - -
15 · 2890 0.01 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260527223633455105179 2026-05-27 14:47:15
Discussion

Comments and follow-up evidence

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