| SpectraBase Compound ID | CTY0ws1nT2T |
|---|---|
| InChI | InChI=1S/C7H7NO4/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2,9-11H,(H2,8,12) |
| InChIKey | RBQIPEJXQPQFJX-UHFFFAOYSA-N |
| Mol Weight | 169.14 g/mol |
| Molecular Formula | C7H7NO4 |
| Exact Mass | 169.037508 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | OMKoWTHuh3 |
|---|---|
| Name | 3,4,5-Trihydroxybenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.037507705 u |
| Formula | C7H7NO4 |
| InChI | InChI=1S/C7H7NO4/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2,9-11H,(H2,8,12) |
| InChIKey | RBQIPEJXQPQFJX-UHFFFAOYSA-N |
| SMILES | NC(C=1C=C(C(=C(C1)O)O)O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.947323 |