| SpectraBase Compound ID | 8AIiaro8D7Q |
|---|---|
| InChI | InChI=1S/C12H15ClOS/c1-12(2,3)11(14)15-8-9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3 |
| InChIKey | CIQHHDAKVQRXNJ-UHFFFAOYSA-N |
| Mol Weight | 242.76 g/mol |
| Molecular Formula | C12H15ClOS |
| Exact Mass | 242.053214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZ0hfrjMK2M |
|---|---|
| Name | 2-Chlorobenzenemethanethiol, S-trimethylacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.053213976 u |
| Formula | C12H15ClOS |
| InChI | InChI=1S/C12H15ClOS/c1-12(2,3)11(14)15-8-9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3 |
| InChIKey | CIQHHDAKVQRXNJ-UHFFFAOYSA-N |
| Molecular Weight | 242.764 g/mol |
| SMILES | C(SC(C(C)(C)C)=O)C1=C(C=CC=C1)Cl |