| SpectraBase Compound ID | F9Ixp79vDic |
|---|---|
| InChI | InChI=1S/C12H14O2S/c13-12(14-10-5-4-6-10)9-15-11-7-2-1-3-8-11/h1-3,7-8,10H,4-6,9H2 |
| InChIKey | LCBNKGBZYHOULH-UHFFFAOYSA-N |
| Mol Weight | 222.3 g/mol |
| Molecular Formula | C12H14O2S |
| Exact Mass | 222.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ActY88eSru8 |
|---|---|
| Name | (Phenylthio)acetic acid, cyclobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.071450863 u |
| Formula | C12H14O2S |
| InChI | InChI=1S/C12H14O2S/c13-12(14-10-5-4-6-10)9-15-11-7-2-1-3-8-11/h1-3,7-8,10H,4-6,9H2 |
| InChIKey | LCBNKGBZYHOULH-UHFFFAOYSA-N |
| Molecular Weight | 222.302 g/mol |
| SMILES | C1=CC(=CC=C1)SCC(OC1CCC1)=O |