| SpectraBase Compound ID | BItlkSN4B7Z |
|---|---|
| InChI | InChI=1S/C9H8O4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3,(H,11,12) |
| InChIKey | NGMYCWFGNSXLMP-UHFFFAOYSA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C9H8O4 |
| Exact Mass | 180.042259 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ERXzGSN5ffs |
|---|---|
| Name | 3-Acetoxybenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.042258734 u |
| Formula | C9H8O4 |
| InChI | InChI=1S/C9H8O4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3,(H,11,12) |
| InChIKey | NGMYCWFGNSXLMP-UHFFFAOYSA-N |
| Molecular Weight | 180.159 g/mol |
| SMILES | C(C)(=O)OC1=CC(C(=O)O)=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.936875 |