| SpectraBase Compound ID | 3Zwi989XM7O |
|---|---|
| InChI | InChI=1S/C15H18OS/c16-14-8-4-6-13(12-14)7-5-11-17-15-9-2-1-3-10-15/h1-3,9-10,12H,4-8,11H2 |
| InChIKey | DXICRMSTSOVGTH-UHFFFAOYSA-N |
| Mol Weight | 246.37 g/mol |
| Molecular Formula | C15H18OS |
| Exact Mass | 246.107836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bwrdVPRbvD |
|---|---|
| Name | 3-(3-Phenylthiopropyl)-2-cyclohexen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.107836373 u |
| Formula | C15H18OS |
| InChI | InChI=1S/C15H18OS/c16-14-8-4-6-13(12-14)7-5-11-17-15-9-2-1-3-10-15/h1-3,9-10,12H,4-8,11H2 |
| InChIKey | DXICRMSTSOVGTH-UHFFFAOYSA-N |
| Molecular Weight | 246.368 g/mol |
| SMILES | C1=C(CCCC1=O)CCCSC=1C=CC=CC1 |