| SpectraBase Compound ID | IXwvPDN3NVM |
|---|---|
| InChI | InChI=1S/C8H7ClOS/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3 |
| InChIKey | XLUGDMFAGSZFOM-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 | 8faLUPtACCo |
|---|---|
| Name | S-Methyl 3-chlorobenzenecarbothioate |
| 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/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3 |
| InChIKey | XLUGDMFAGSZFOM-UHFFFAOYSA-N |
| Molecular Weight | 186.656 g/mol |
| SMILES | C(C=1C=C(Cl)C=CC1)(=O)SC |