| SpectraBase Compound ID | 38subKTnwwE |
|---|---|
| InChI | InChI=1S/C13H16O2S/c14-13(15-11-6-4-5-7-11)10-16-12-8-2-1-3-9-12/h1-3,8-9,11H,4-7,10H2 |
| InChIKey | ZTXZIMSUBNBDCR-UHFFFAOYSA-N |
| Mol Weight | 236.33 g/mol |
| Molecular Formula | C13H16O2S |
| Exact Mass | 236.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B8Wvcid0Nvs |
|---|---|
| Name | (Phenylthio)acetic acid, cyclopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.087100927 u |
| Formula | C13H16O2S |
| InChI | InChI=1S/C13H16O2S/c14-13(15-11-6-4-5-7-11)10-16-12-8-2-1-3-9-12/h1-3,8-9,11H,4-7,10H2 |
| InChIKey | ZTXZIMSUBNBDCR-UHFFFAOYSA-N |
| Molecular Weight | 236.329 g/mol |
| SMILES | C1=CC=CC(=C1)SCC(OC1CCCC1)=O |