| SpectraBase Compound ID | 1BYoWH306Rx |
|---|---|
| InChI | InChI=1S/C11H13ClOS/c1-8(7-11(13)14-2)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | UDCCESPZIWIXKC-UHFFFAOYSA-N |
| Mol Weight | 228.74 g/mol |
| Molecular Formula | C11H13ClOS |
| Exact Mass | 228.037564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JcbfSmgqkfN |
|---|---|
| Name | 3-(p-Chlorophenyl)thiobutyric acid-S-methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.037563912 u |
| Formula | C11H13ClOS |
| InChI | InChI=1S/C11H13ClOS/c1-8(7-11(13)14-2)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | UDCCESPZIWIXKC-UHFFFAOYSA-N |
| Molecular Weight | 228.737 g/mol |
| SMILES | C(CC(C=1C=CC(=CC1)Cl)C)(=O)SC |