| SpectraBase Compound ID | KDknpkWA3ry |
|---|---|
| InChI | InChI=1S/C20H24O2S/c1-3-19(23-17-12-9-15(2)10-13-17)20(22)18(21)14-11-16-7-5-4-6-8-16/h4-10,12-13,18-19,21H,3,11,14H2,1-2H3 |
| InChIKey | CXVPXZVSHKELPM-UHFFFAOYSA-N |
| Mol Weight | 328.47 g/mol |
| Molecular Formula | C20H24O2S |
| Exact Mass | 328.149701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4hQgBGEI3w |
|---|---|
| Name | 3-Hydrooxy-1-phenyl-5-(p-tolylthio)-4-heptanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.149701185 u |
| Formula | C20H24O2S |
| InChI | InChI=1S/C20H24O2S/c1-3-19(23-17-12-9-15(2)10-13-17)20(22)18(21)14-11-16-7-5-4-6-8-16/h4-10,12-13,18-19,21H,3,11,14H2,1-2H3 |
| InChIKey | CXVPXZVSHKELPM-UHFFFAOYSA-N |
| Molecular Weight | 328.470 g/mol |
| SMILES | C(C(SC=1C=CC(=CC1)C)CC)(=O)C(CCC1=CC=CC=C1)O |