| SpectraBase Compound ID | L6bd0eTG1V0 |
|---|---|
| InChI | InChI=1S/C10H11NO2S/c1-8(12)14-7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13) |
| InChIKey | XCPPBDAMXRLGKI-UHFFFAOYSA-N |
| Mol Weight | 209.26 g/mol |
| Molecular Formula | C10H11NO2S |
| Exact Mass | 209.05105 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HyieKfg4Hhb |
|---|---|
| Name | 2-Mercaptoacetanilide, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.051049770 u |
| Formula | C10H11NO2S |
| InChI | InChI=1S/C10H11NO2S/c1-8(12)14-7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13) |
| InChIKey | XCPPBDAMXRLGKI-UHFFFAOYSA-N |
| Molecular Weight | 209.263 g/mol |
| SMILES | N(C(CSC(C)=O)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.876882 |