| SpectraBase Compound ID | IGec8oTy8jt |
|---|---|
| InChI | InChI=1S/C16H22O2S/c1-2-18-16(17)15(13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h4,7-8,11-13,15H,2-3,5-6,9-10H2,1H3 |
| InChIKey | APXPKGRVMRADLM-UHFFFAOYSA-N |
| Mol Weight | 278.41 g/mol |
| Molecular Formula | C16H22O2S |
| Exact Mass | 278.134051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3sPRAXO09MB |
|---|---|
| Name | Cyclohexaneacetic acid, .alpha.-(phenylthio)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.134051120 u |
| Formula | C16H22O2S |
| InChI | InChI=1S/C16H22O2S/c1-2-18-16(17)15(13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h4,7-8,11-13,15H,2-3,5-6,9-10H2,1H3 |
| InChIKey | APXPKGRVMRADLM-UHFFFAOYSA-N |
| Molecular Weight | 278.410 g/mol |
| SMILES | C(C(=O)OCC)(SC1=CC=CC=C1)C1CCCCC1 |