| SpectraBase Compound ID | 1UHv02y4mnk |
|---|---|
| InChI | InChI=1S/C14H18OS/c1-12(15)8-6-7-9-13(2)16-14-10-4-3-5-11-14/h3-5,10-11H,2,6-9H2,1H3 |
| InChIKey | USIYEFZRUDRQGB-UHFFFAOYSA-N |
| Mol Weight | 234.36 g/mol |
| Molecular Formula | C14H18OS |
| Exact Mass | 234.107836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1IkNU5HQjIh |
|---|---|
| Name | 7-(Phenylthio)-7-octen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.107836373 u |
| Formula | C14H18OS |
| InChI | InChI=1S/C14H18OS/c1-12(15)8-6-7-9-13(2)16-14-10-4-3-5-11-14/h3-5,10-11H,2,6-9H2,1H3 |
| InChIKey | USIYEFZRUDRQGB-UHFFFAOYSA-N |
| Molecular Weight | 234.357 g/mol |
| SMILES | C(SC=1C=CC=CC1)(=C)CCCCC(=O)C |