| SpectraBase Compound ID | HYRBqAtC7IF |
|---|---|
| InChI | InChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2 |
| InChIKey | VATYWCRQDJIRAI-UHFFFAOYSA-N |
| Mol Weight | 121.14 g/mol |
| Molecular Formula | C7H7NO |
| Exact Mass | 121.052764 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | G1PZdDiG6N2 |
|---|---|
| Name | Poly(p-benzamide), poly(4-iminobenzoyl) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 121.052763848 u |
| Formula | C7H7NO |
| InChI | InChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2 |
| InChIKey | VATYWCRQDJIRAI-UHFFFAOYSA-N |
| Molecular Weight | 121.139 g/mol |
| Nominal Mass | 121 u |
| SMILES | NC=1C=CC(=CC1)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.866541 |