RESULT PAGE

Aromatic ring-containing organic compound with amide, sulfur, and methyl substituents

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Result No.: 20251224044220039619160 Owner: Admin Comments: 0
FTIR Analysis Report Low confidence

Aromatic ring-containing organic compound with amide, sulfur, and methyl substituents

Sample & Measurement Parameters

Report No. 20251224044220039619160
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 30%

Identification Result

30%

The FTIR spectrum is consistent with an organic material containing aromatic ring systems, amide functionality, and sulfur-containing groups, likely accompanied by methyl substituents. The spectral features suggest a complex molecular structure with contributions from aromatic C-H stretching and out-of-plane deformations, C-S or S-O modes, and methyl deformation bands. The low library match confidence prevents a more specific identification, but the evidence collectively points to an organic matrix with aromatic and amide character, possibly sulfonated or containing sulfate ester 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: 1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone #6543
  • Direct evidence [3] attributes the 1369 cm⁻¹ band to nitrate anions, but this does not align with the predominantly organic spectral pattern and is less consistent than a methyl deformation assignment.
  • The assignment of 826 cm⁻¹ to stretching of zigzag‑shaped carbon [1], derived from a cement composite, is not specific to the current sample and is superseded by aromatic deformation in the presence of strong aromatic indicators.
  • The library match similarity is 0.0, and no high‑confidence entity could be assigned; the material direction remains uncertain.
  • Analogical peak assignments from related literature should be regarded conservatively.
  • The baseline around 3128 cm⁻¹ may be shifted, and N–H stretching contributions from the amide group cannot be excluded.

Recommended next steps: Confirm the presence of aromatic rings and amide via NMR or complementary vibrational spectroscopy. Perform elemental analysis (sulfur, nitrogen) to verify the proposed sulfur‑containing groups and amide content. If the sample is a mixture, consider separation techniques to isolate and characterize the major components.

Library Comparison

Library spectrum will appear here.

Library Search Results — Top 15 Candidates

Rank Match % Compound SMILES Spectrum No. Action
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Peak Analysis

★ = Literature-supported assignment
# Wavenumber (cm⁻¹) Absorbance Assignment Citation Assignment status
1 · 1369 1.00 - - -
2 · 1102 0.52 - - -
3 · 846 0.35 - - -
4 · 826 0.34 - - -
5 · 3128 0.20 - - -
6 · 1645 0.16 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20251224044220039619160
Discussion

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