| SpectraBase Compound ID | GV91EQkGLWk |
|---|---|
| InChI | InChI=1S/C8H7NO5/c1-5(10)14-7-4-2-3-6(11)8(7)9(12)13/h2-4,11H,1H3 |
| InChIKey | WMKLXCRTRGYMOB-UHFFFAOYSA-N |
| Mol Weight | 197.15 g/mol |
| Molecular Formula | C8H7NO5 |
| Exact Mass | 197.032422 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kt6p2UynD6d |
|---|---|
| Name | Acetic acid, 3-hydroxy-2-nitrophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.032422324 u |
| Formula | C8H7NO5 |
| InChI | InChI=1S/C8H7NO5/c1-5(10)14-7-4-2-3-6(11)8(7)9(12)13/h2-4,11H,1H3 |
| InChIKey | WMKLXCRTRGYMOB-UHFFFAOYSA-N |
| SMILES | CC(OC1=C(N(=O)=O)C(=CC=C1)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977049 |