| SpectraBase Compound ID | 7Y1T9cDIXhN |
|---|---|
| InChI | InChI=1S/C18H20O2S/c1-15(19)20-13-17(12-16-8-4-2-5-9-16)14-21-18-10-6-3-7-11-18/h2-11,17H,12-14H2,1H3 |
| InChIKey | JXLUGTYGXXSYIB-UHFFFAOYSA-N |
| Mol Weight | 300.42 g/mol |
| Molecular Formula | C18H20O2S |
| Exact Mass | 300.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I8piukhdMGM |
|---|---|
| Name | 3-Acetoxy-2-benzylpropyl phenyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.118401056 u |
| Formula | C18H20O2S |
| InChI | InChI=1S/C18H20O2S/c1-15(19)20-13-17(12-16-8-4-2-5-9-16)14-21-18-10-6-3-7-11-18/h2-11,17H,12-14H2,1H3 |
| InChIKey | JXLUGTYGXXSYIB-UHFFFAOYSA-N |
| SMILES | C(=O)(OCC(CSC1=CC=CC=C1)CC=1C=CC=CC1)C |