| SpectraBase Compound ID | 97TDi7KuW32 |
|---|---|
| InChI | InChI=1S/C9H10ClNOS/c1-6-3-2-4-7(10)9(6)11-8(12)5-13/h2-4,13H,5H2,1H3,(H,11,12) |
| InChIKey | YYAPMJNXZINXCF-UHFFFAOYSA-N |
| Mol Weight | 215.7 g/mol |
| Molecular Formula | C9H10ClNOS |
| Exact Mass | 215.017163 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2HnDBUHpIev |
|---|---|
| Name | 6'-Chloro-2-mercapto-o-acetotoluidide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.017162819 u |
| Formula | C9H10ClNOS |
| InChI | InChI=1S/C9H10ClNOS/c1-6-3-2-4-7(10)9(6)11-8(12)5-13/h2-4,13H,5H2,1H3,(H,11,12) |
| InChIKey | YYAPMJNXZINXCF-UHFFFAOYSA-N |
| Molecular Weight | 215.698 g/mol |
| SMILES | N(C1=C(C=CC=C1Cl)C)C(CS)=O |
| Spectrum/Structure Validation Score (Raman) | 0.969726 |