| SpectraBase Compound ID | 6TUOTlkSWoW |
|---|---|
| InChI | InChI=1S/C22H18O3S/c23-20(18-11-5-2-6-12-18)15-25-22(24)19-13-7-8-14-21(19)26-16-17-9-3-1-4-10-17/h1-14H,15-16H2 |
| InChIKey | LHOUMOVYSFTEHL-UHFFFAOYSA-N |
| Mol Weight | 362.44 g/mol |
| Molecular Formula | C22H18O3S |
| Exact Mass | 362.097666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FD8wRlWnvoN |
|---|---|
| Name | 2-oxo-2-Phenylethyl 2-(benzylsulfanyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.097665611 u |
| Formula | C22H18O3S |
| InChI | InChI=1S/C22H18O3S/c23-20(18-11-5-2-6-12-18)15-25-22(24)19-13-7-8-14-21(19)26-16-17-9-3-1-4-10-17/h1-14H,15-16H2 |
| InChIKey | LHOUMOVYSFTEHL-UHFFFAOYSA-N |
| Molecular Weight | 362.443 g/mol |
| SMILES | C1(C(OCC(=O)C2=CC=CC=C2)=O)=C(SCC2=CC=CC=C2)C=CC=C1 |