| SpectraBase Compound ID | 4WuGkGeO9QL |
|---|---|
| InChI | InChI=1S/C9H9ClOS/c1-7(11)12-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3 |
| InChIKey | CYOYOMBXWRTWFY-UHFFFAOYSA-N |
| Mol Weight | 200.68 g/mol |
| Molecular Formula | C9H9ClOS |
| Exact Mass | 200.006264 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GuGHeuqpqlJ |
|---|---|
| Name | 2-Chlorobenzenemethanethiol, S-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.006263783 u |
| Formula | C9H9ClOS |
| InChI | InChI=1S/C9H9ClOS/c1-7(11)12-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3 |
| InChIKey | CYOYOMBXWRTWFY-UHFFFAOYSA-N |
| Molecular Weight | 200.683 g/mol |
| SMILES | C(SC(C)=O)C1=C(C=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871356 |