| SpectraBase Compound ID | 171IxmpH0xS |
|---|---|
| InChI | InChI=1S/C13H14O2S/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2 |
| InChIKey | UAHPGBFSJIKECI-UHFFFAOYSA-N |
| Mol Weight | 234.31 g/mol |
| Molecular Formula | C13H14O2S |
| Exact Mass | 234.071451 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I7fovCvCuQL |
|---|---|
| Name | thiobenzoic acid, S-ester with (3S)-3-mercaptocyclohexanone |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14O2S |
| InChI | InChI=1S/C13H14O2S/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2 |
| InChIKey | UAHPGBFSJIKECI-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 44301M |
| Solvent | CDCl3 |