| SpectraBase Compound ID | AsTINMqZ9rl |
|---|---|
| InChI | InChI=1S/C10H11ClOS/c1-7(2)10(12)13-9-5-3-4-8(11)6-9/h3-7H,1-2H3 |
| InChIKey | YSUBCZPSULHQDK-UHFFFAOYSA-N |
| Mol Weight | 214.71 g/mol |
| Molecular Formula | C10H11ClOS |
| Exact Mass | 214.021914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27anz3eAlAS |
|---|---|
| Name | 3-Chlorothiophenol, S-(2-methylpropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.021913847 u |
| Formula | C10H11ClOS |
| InChI | InChI=1S/C10H11ClOS/c1-7(2)10(12)13-9-5-3-4-8(11)6-9/h3-7H,1-2H3 |
| InChIKey | YSUBCZPSULHQDK-UHFFFAOYSA-N |
| Molecular Weight | 214.710 g/mol |
| SMILES | C1(SC(C(C)C)=O)=CC(=CC=C1)Cl |