| SpectraBase Compound ID | JXQwHX39mFw |
|---|---|
| InChI | InChI=1S/C17H17ClOS/c1-13(19)11-17(15-7-9-16(18)10-8-15)20-12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1 |
| InChIKey | JMBANEUGFWGYPX-KRWDZBQOSA-N |
| Mol Weight | 304.84 g/mol |
| Molecular Formula | C17H17ClOS |
| Exact Mass | 304.068864 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5MLlVmZ6AVU |
|---|---|
| Name | (S)-4-Benzylsulfanyl-4-(4'-chloro-phenyl)-butan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.068864040 u |
| Formula | C17H17ClOS |
| InChI | InChI=1S/C17H17ClOS/c1-13(19)11-17(15-7-9-16(18)10-8-15)20-12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1 |
| InChIKey | JMBANEUGFWGYPX-KRWDZBQOSA-N |
| Molecular Weight | 304.835 g/mol |
| SMILES | C=1C=C([C@@](SCC2=CC=CC=C2)(CC(C)=O)[H])C=CC1Cl |