| SpectraBase Compound ID | 9ETlHJ4dmPq |
|---|---|
| InChI | InChI=1S/C8H7ClOS/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3 |
| InChIKey | DPMSHRXNSCIBLJ-UHFFFAOYSA-N |
| Mol Weight | 186.66 g/mol |
| Molecular Formula | C8H7ClOS |
| Exact Mass | 185.990614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5riWrt63FSn |
|---|---|
| Name | 3-Chlorothiophenol, S-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.990613718 u |
| Formula | C8H7ClOS |
| InChI | InChI=1S/C8H7ClOS/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3 |
| InChIKey | DPMSHRXNSCIBLJ-UHFFFAOYSA-N |
| Molecular Weight | 186.656 g/mol |
| SMILES | C1(SC(C)=O)=CC(=CC=C1)Cl |