| SpectraBase Compound ID | Hxi1KjQjxZ6 |
|---|---|
| InChI | InChI=1S/C16H14O3S/c17-14(12-20-15-9-5-2-6-10-15)11-19-16(18)13-7-3-1-4-8-13/h1-10H,11-12H2 |
| InChIKey | YNOGNIBTSFMJAJ-UHFFFAOYSA-N |
| Mol Weight | 286.35 g/mol |
| Molecular Formula | C16H14O3S |
| Exact Mass | 286.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CBhTszFM1XX |
|---|---|
| Name | 2-oxo-3-(Phenylthio)propyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.066365482 u |
| Formula | C16H14O3S |
| InChI | InChI=1S/C16H14O3S/c17-14(12-20-15-9-5-2-6-10-15)11-19-16(18)13-7-3-1-4-8-13/h1-10H,11-12H2 |
| InChIKey | YNOGNIBTSFMJAJ-UHFFFAOYSA-N |
| SMILES | C1=CC=CC=C1SCC(COC(=O)C1=CC=CC=C1)=O |