| SpectraBase Compound ID | 6u02JSs7CCK |
|---|---|
| InChI | InChI=1S/C10H11ClO2S/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13) |
| InChIKey | SBRQBQHVYFSULX-UHFFFAOYSA-N |
| Mol Weight | 230.71 g/mol |
| Molecular Formula | C10H11ClO2S |
| Exact Mass | 230.016828 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 | 2Va4xHFyQwH |
|---|---|
| Name | 4-((4-Chlorophenyl)sulfanyl)butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.016828466 u |
| Formula | C10H11ClO2S |
| InChI | InChI=1S/C10H11ClO2S/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13) |
| InChIKey | SBRQBQHVYFSULX-UHFFFAOYSA-N |
| Molecular Weight | 230.709 g/mol |
| SMILES | C(SC1=CC=C(C=C1)Cl)CCC(=O)O |