| SpectraBase Compound ID | C0dDa1MVmMb |
|---|---|
| InChI | InChI=1S/C9H10ClNOS/c10-7-1-3-8(4-2-7)11-9(12)5-6-13/h1-4,13H,5-6H2,(H,11,12) |
| InChIKey | UHHXIXSKZJOLQJ-UHFFFAOYSA-N |
| Mol Weight | 215.7 g/mol |
| Molecular Formula | C9H10ClNOS |
| Exact Mass | 215.017163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lh6qcw86dT1 |
|---|---|
| Name | 4'-Chloro-3-mercaptopropionanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.017162819 u |
| Formula | C9H10ClNOS |
| InChI | InChI=1S/C9H10ClNOS/c10-7-1-3-8(4-2-7)11-9(12)5-6-13/h1-4,13H,5-6H2,(H,11,12) |
| InChIKey | UHHXIXSKZJOLQJ-UHFFFAOYSA-N |
| Molecular Weight | 215.698 g/mol |
| SMILES | N(C1=CC=C(C=C1)Cl)C(CCS)=O |