| SpectraBase Compound ID | JzqEX80Vdhp |
|---|---|
| InChI | InChI=1S/C10H13ClO3S/c1-8-2-4-10(5-3-8)15(13,14)7-9(12)6-11/h2-5,9,12H,6-7H2,1H3 |
| InChIKey | GIPUJWOQHYHQEJ-UHFFFAOYSA-N |
| Mol Weight | 248.72 g/mol |
| Molecular Formula | C10H13ClO3S |
| Exact Mass | 248.027393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3itAqKmxbPO |
|---|---|
| Name | 1-Chloranyl-3-(4-methylphenyl)sulfonyl-propan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.027393150 u |
| Formula | C10H13ClO3S |
| InChI | InChI=1S/C10H13ClO3S/c1-8-2-4-10(5-3-8)15(13,14)7-9(12)6-11/h2-5,9,12H,6-7H2,1H3 |
| InChIKey | GIPUJWOQHYHQEJ-UHFFFAOYSA-N |
| Molecular Weight | 248.724 g/mol |
| SMILES | C(S(C=1C=CC(=CC1)C)(=O)=O)C(O)CCl |