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The FTIR pattern supports an ester-containing organic material and is compatible with, but does not securely identify, an aromatic ester. The strongest sample evidence is the prominent carbonyl band at 1711 cm⁻¹ together with multiple C–O stretching bands near 1268, 1247, 1100, and 1017 cm⁻¹, plus aliphatic C–H stretching at 2918 and 2850 cm⁻¹. Several top library candidates also contain ester and/or aromatic motifs, but the retrieval itself is very weak because all listed similarities are 0.000 and no direct or related literature evidence narrows the assignment further. The current evidence therefore supports a broadened ester-based material direction rather than a firm identification as the named library hit
Recommended next steps: Verify whether aromatic ring stretching bands are present in the original spectrum near about 1600-1500 cm⁻¹; clear aromatic bands would strengthen an aromatic ester direction. Inspect the full spectrum for additional ester-characteristic intensity relationships, especially the relative strength and shape of the 1268-1017 cm⁻¹ C–O region. Check for any broad O–H or N–H absorption above 3000 cm⁻¹ in the raw spectrum; their absence would better support a simple ester assignment. If sample amount permits, confirm composition with GC-MS or LC-MS to determine whether the material is a discrete ester such as the library candidate or a more complex mixture.
| Rank | Match % | Compound | SMILES | Spectrum No. | Action |
|---|---|---|---|---|---|
| Loading library candidates... | |||||
| # | Wavenumber (cm⁻¹) | Absorbance | Assignment | Citation | Assignment status | |
|---|---|---|---|---|---|---|
| 1 | · | 725 | 1.00 | - | - | - |
| 2 | · | 1100 | 0.74 | - | - | - |
| 3 | · | 1711 | 0.66 | - | - | - |
| 4 | · | 1268 | 0.61 | - | - | - |
| 5 | · | 1017 | 0.57 | - | - | - |
| 6 | · | 1247 | 0.54 | - | - | - |
| 7 | · | 666 | 0.31 | - | - | - |
| 8 | · | 934 | 0.31 | - | - | - |
| 9 | · | 873 | 0.28 | - | - | - |
| 10 | · | 1396 | 0.20 | - | - | - |
| 11 | · | 2918 | 0.16 | - | - | - |
| 12 | · | 1446 | 0.15 | - | - | - |
| 13 | · | 1344 | 0.15 | - | - | - |
| 14 | · | 2850 | 0.14 | - | - | - |
Use this area to continue the interpretation, ask questions, or add extra verification evidence.
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