| SpectraBase Compound ID | AjWLs4HBXo3 |
|---|---|
| InChI | InChI=1S/C17H18O2S/c18-17(14-20-16-11-5-2-6-12-16)19-13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12H,7,10,13-14H2 |
| InChIKey | FURQRGUDFUEJKS-UHFFFAOYSA-N |
| Mol Weight | 286.39 g/mol |
| Molecular Formula | C17H18O2S |
| Exact Mass | 286.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5JRCcYFuF3Q |
|---|---|
| Name | (Phenylthio)acetic acid, 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.102750992 u |
| Formula | C17H18O2S |
| InChI | InChI=1S/C17H18O2S/c18-17(14-20-16-11-5-2-6-12-16)19-13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12H,7,10,13-14H2 |
| InChIKey | FURQRGUDFUEJKS-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)SCC(OCCCC1=CC=CC=C1)=O |