| SpectraBase Compound ID | 41xf3ZIfNon |
|---|---|
| InChI | InChI=1S/C14H18O2S/c15-14(16-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2 |
| InChIKey | SIRIXPOWYMQWOJ-UHFFFAOYSA-N |
| Mol Weight | 250.36 g/mol |
| Molecular Formula | C14H18O2S |
| Exact Mass | 250.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | C1QnDpsqpIU |
|---|---|
| Name | (Phenylthio)acetic acid, cyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.102750992 u |
| Formula | C14H18O2S |
| InChI | InChI=1S/C14H18O2S/c15-14(16-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2 |
| InChIKey | SIRIXPOWYMQWOJ-UHFFFAOYSA-N |
| Molecular Weight | 250.356 g/mol |
| SMILES | C1=CC=CC(=C1)SCC(OC1CCCCC1)=O |