| SpectraBase Compound ID | 8wzRi0gkRE3 |
|---|---|
| InChI | InChI=1S/C9H10O3S/c1-12-8-5-6(13-2)3-4-7(8)9(10)11/h3-5H,1-2H3,(H,10,11) |
| InChIKey | UOPCPHJGGRTYNC-UHFFFAOYSA-N |
| Mol Weight | 198.24 g/mol |
| Molecular Formula | C9H10O3S |
| Exact Mass | 198.035065 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2xqXUj5Rkvy |
|---|---|
| Name | 2-Methoxy-4-methylsulfanylbenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.035065353 u |
| Formula | C9H10O3S |
| InChI | InChI=1S/C9H10O3S/c1-12-8-5-6(13-2)3-4-7(8)9(10)11/h3-5H,1-2H3,(H,10,11) |
| InChIKey | UOPCPHJGGRTYNC-UHFFFAOYSA-N |
| Molecular Weight | 198.236 g/mol |
| SMILES | C=1(OC)C=C(C=CC1C(=O)O)SC |
| Spectrum/Structure Validation Score (Raman) | 0.990449 |