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The FTIR pattern does not support a confident assignment to the top library compound, and the library search itself is effectively non-discriminating. The observed spectrum is more safely described as an aromatic organic material showing substituted benzene features, with several fingerprint-region bands that could arise from C-O-containing functionality and/or unsaturated side-chain structure. Because no direct reference or closely related literature match was recovered, the result should be treated as a broad material direction rather than a specific compound identification
Recommended next steps: Acquire the full FTIR spectrum with intensities and band shapes, especially checking for any carbonyl band near 1700-1750 cm-1 and any broad O-H or N-H absorption above 3200 cm-1 to test ester, acid, alcohol, or amine possibilities. Compare the sample specifically against reference spectra for substituted aromatic vinyl compounds and aromatic C-O-containing materials, rather than relying on the current broad library hit list. If available, run Raman or GC-MS to determine whether the sample is a single aromatic compound or a mixture with unsaturated and oxygenated components. Inspect the 700-900 cm-1 region at higher resolution to refine the aromatic substitution pattern, which may help distinguish among mono-, di-, or more highly substituted benzene structures.
| Rank | Match % | Compound | SMILES | Spectrum No. | Action |
|---|---|---|---|---|---|
| Loading library candidates... | |||||
| # | Wavenumber (cm⁻¹) | Absorbance | Assignment | Citation | Assignment status | |
|---|---|---|---|---|---|---|
| 1 | · | 728 | 1.00 | - | - | - |
| 2 | · | 796 | 0.83 | - | - | - |
| 3 | · | 748 | 0.80 | - | - | - |
| 4 | · | 1079 | 0.65 | - | - | - |
| 5 | · | 1383 | 0.57 | - | - | - |
| 6 | · | 1320 | 0.40 | - | - | - |
| 7 | · | 1614 | 0.39 | - | - | - |
| 8 | · | 1145 | 0.35 | - | - | - |
| 9 | · | 1498 | 0.33 | - | - | - |
| 10 | · | 1200 | 0.31 | - | - | - |
| 11 | · | 1022 | 0.29 | - | - | - |
| 12 | · | 3047 | 0.26 | - | - | - |
| 13 | · | 905 | 0.25 | - | - | - |
| 14 | · | 1452 | 0.24 | - | - | - |
| 15 | · | 931 | 0.21 | - | - | - |
| 16 | · | 988 | 0.18 | - | - | - |
| 17 | · | 1250 | 0.14 | - | - | - |
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