View the report above. Use the comments below if you need follow-up discussion.
The current FTIR result does not support a firm compound-level identification. The library Top-1 hit is 1-(3-methylthiophen-2-yl)ethanone, but all reported library similarities are 0.000 and neither direct reference evidence nor related literature provides confirming support. The spectrum shows a band near 1648 cm-1 consistent with a conjugated carbonyl or other unsaturated functionality, multiple bands in the 666-806 cm-1 region that can be compatible with substituted aromatic or heteroaromatic ring out-of-plane modes, and broad high-wavenumber absorption at 3195-3409 cm-1 indicating hydrogen-bonded O-H and/or N-H character. Because these features do not securely match the specific Top-1 structure and the broad O-H/N-H region is not naturally explained by that candidate alone, the most chemically supportable conclusion is a broader heteroaromatic carbonyl-containing organic material, possibly sulfur-containing, rather than a confirmed single library entity
| Rank | Match % | Compound | Formula / SMILES | Library Preview | Action |
|---|---|---|---|---|---|
| Loading library candidates... | |||||
| # | Wavenumber (cm⁻¹) | Absorbance | Assignment | Citation | Confidence | |
|---|---|---|---|---|---|---|
| 1 | · | 1648 | 1.00 | - | - | - |
| 2 | · | 1039 | 0.66 | - | - | - |
| 3 | · | 1182 | 0.46 | - | - | - |
| 4 | · | 1443 | 0.42 | - | - | - |
| 5 | · | 1290 | 0.23 | - | - | - |
| 6 | · | 1116 | 0.20 | - | - | - |
| 7 | · | 1539 | 0.19 | - | - | - |
| 8 | · | 666 | 0.18 | - | - | - |
| 9 | · | 2923 | 0.18 | - | - | - |
| 10 | · | 2029 | 0.17 | - | - | - |
| 11 | · | 1388 | 0.16 | - | - | - |
| 12 | · | 769 | 0.14 | - | - | - |
| 13 | · | 1973 | 0.14 | - | - | - |
| 14 | · | 3195 | 0.14 | - | - | - |
| 15 | · | 1941 | 0.13 | - | - | - |
| 16 | · | 2003 | 0.13 | - | - | - |
| 17 | · | 2191 | 0.13 | - | - | - |
| 18 | · | 3749 | 0.13 | - | - | - |
| 19 | · | 744 | 0.13 | - | - | - |
| 20 | · | 1862 | 0.13 | - | - | - |
| 21 | · | 2167 | 0.13 | - | - | - |
| 22 | · | 698 | 0.13 | - | - | - |
| 23 | · | 2047 | 0.13 | - | - | - |
| 24 | · | 3409 | 0.12 | - | - | - |
| 25 | · | 717 | 0.12 | - | - | - |
| 26 | · | 806 | 0.12 | - | - | - |
| 27 | · | 2206 | 0.11 | - | - | - |
| 28 | · | 3837 | 0.11 | - | - | - |
| 29 | · | 2219 | 0.11 | - | - | - |
| 30 | · | 2155 | 0.11 | - | - | - |
| 31 | · | 2237 | 0.11 | - | - | - |
| 32 | · | 2144 | 0.11 | - | - | - |
| 33 | · | 2101 | 0.10 | - | - | - |
| 34 | · | 756 | 0.10 | - | - | - |
| 35 | · | 2119 | 0.10 | - | - | - |
| 36 | · | 3336 | 0.10 | - | - | - |
| 37 | · | 785 | 0.10 | - | - | - |
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FTIR.fun
The above shows the FTIR analysis results of a sp file uploaded by a user from Denmark. The original image and extracted CSV file are displayed below.
1.CSV
en&2