| SpectraBase Compound ID | 99UrLy231OP |
|---|---|
| InChI | InChI=1S/C20H22OS/c1-3-4-14-22-20(18-8-6-5-7-9-18)15-19(21)17-12-10-16(2)11-13-17/h5-13,15H,3-4,14H2,1-2H3/b20-15+ |
| InChIKey | PCTBBQXXSIYZHL-HMMYKYKNSA-N |
| Mol Weight | 310.46 g/mol |
| Molecular Formula | C20H22OS |
| Exact Mass | 310.139137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33JtpkW0bCz |
|---|---|
| Name | (E)-3-Butylthio-1-(4-methylphenyl)-3-phenylprop-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.139136501 u |
| Formula | C20H22OS |
| InChI | InChI=1S/C20H22OS/c1-3-4-14-22-20(18-8-6-5-7-9-18)15-19(21)17-12-10-16(2)11-13-17/h5-13,15H,3-4,14H2,1-2H3/b20-15+ |
| InChIKey | PCTBBQXXSIYZHL-HMMYKYKNSA-N |
| Molecular Weight | 310.455 g/mol |
| SMILES | C(\C=C/(C=1C=CC=CC1)SCCCC)(C=1C=CC(=CC1)C)=O |