| SpectraBase Compound ID | JOJkKxzq686 |
|---|---|
| InChI | InChI=1S/C14H16OS/c15-13-6-4-5-12(11-13)9-10-16-14-7-2-1-3-8-14/h1-3,7-8,11H,4-6,9-10H2 |
| InChIKey | UFOKWPJZJUPUOU-UHFFFAOYSA-N |
| Mol Weight | 232.34 g/mol |
| Molecular Formula | C14H16OS |
| Exact Mass | 232.092186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4Z8LZZN40u |
|---|---|
| Name | 3-(2-Phenylsulfanylethyl)cyclohex-2-enone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.092186308 u |
| Formula | C14H16OS |
| InChI | InChI=1S/C14H16OS/c15-13-6-4-5-12(11-13)9-10-16-14-7-2-1-3-8-14/h1-3,7-8,11H,4-6,9-10H2 |
| InChIKey | UFOKWPJZJUPUOU-UHFFFAOYSA-N |
| Molecular Weight | 232.341 g/mol |
| SMILES | C1(C=C(CCC1)CCSC=1C=CC=CC1)=O |