| SpectraBase Compound ID | 2pZ5xZypLsr |
|---|---|
| InChI | InChI=1S/C16H16O2S/c17-16(18-11-14-7-3-1-4-8-14)13-19-12-15-9-5-2-6-10-15/h1-10H,11-13H2 |
| InChIKey | ZUOUJUSJZRLCQO-UHFFFAOYSA-N |
| Mol Weight | 272.36 g/mol |
| Molecular Formula | C16H16O2S |
| Exact Mass | 272.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GpzR3Pm3aIn |
|---|---|
| Name | Benzylthioacetic acid, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.087100927 u |
| Formula | C16H16O2S |
| InChI | InChI=1S/C16H16O2S/c17-16(18-11-14-7-3-1-4-8-14)13-19-12-15-9-5-2-6-10-15/h1-10H,11-13H2 |
| InChIKey | ZUOUJUSJZRLCQO-UHFFFAOYSA-N |
| Molecular Weight | 272.362 g/mol |
| SMILES | C1=CC(CSCC(OCC2=CC=CC=C2)=O)=CC=C1 |