Aromatic / methyl compound, likely containing carbonyl (ester/acid) and polysaccharide-like C-O moieties
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Aromatic / methyl compound, likely containing carbonyl (ester/acid) and polysaccharide-like C-O moieties
Sample & Measurement Parameters
Identification Result
29%The FTIR spectrum reveals an organic material dominated by aromatic and methyl-group contributions. The library search returns 4-methylbenzenesulfonic acid hydrate as the nearest match, but with low confidence (similarity 0.15). The spectral evidence supports a broader classification as an aromatic compound containing methyl substituents, ester/acid carbonyls, and polysaccharide‑type C‑O linkages. A weak but distinct band at 2175 cm⁻¹ points to a nitrile or C≡N functionality not accounted for by the top library candidate, further limiting the certainty of the specific identification 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.
Library Comparison
Library Search Results — Top 15 Candidates
| Rank | Match % | Compound | Formula / SMILES | Library Preview | Action |
|---|---|---|---|---|---|
| Loading library candidates... | |||||
Peak Analysis
★ = Literature-supported assignment| # | Wavenumber (cm⁻¹) | Absorbance | Assignment | Citation | Confidence | |
|---|---|---|---|---|---|---|
| 1 | · | 2175 | 1.00 | - | - | - |
| 2 | · | 1732 | 0.61 | - | - | - |
| 3 | · | 1696 | 0.49 | - | - | - |
| 4 | · | 1164 | 0.28 | - | - | - |
| 5 | · | 1459 | 0.21 | - | - | - |
| 6 | · | 1067 | 0.19 | - | - | - |
Appendix — Raw Spectrum
Comments and follow-up evidence
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