| SpectraBase Compound ID | 14MpTxpFe2U |
|---|---|
| InChI | InChI=1S/C13H18O2S/c1-9-6-10(2)8-11(7-9)15-13(14)12-4-3-5-16-12/h3-5,9-11H,6-8H2,1-2H3 |
| InChIKey | BJCCKWSQZROMBM-UHFFFAOYSA-N |
| Mol Weight | 238.34 g/mol |
| Molecular Formula | C13H18O2S |
| Exact Mass | 238.102751 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 | EVOcN9a9gjz |
|---|---|
| Name | 2-Thiophenecarboxylic acid, 3,5-dimethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.102750992 u |
| Formula | C13H18O2S |
| InChI | InChI=1S/C13H18O2S/c1-9-6-10(2)8-11(7-9)15-13(14)12-4-3-5-16-12/h3-5,9-11H,6-8H2,1-2H3 |
| InChIKey | BJCCKWSQZROMBM-UHFFFAOYSA-N |
| Molecular Weight | 238.345 g/mol |
| SMILES | CC1CC(OC(=O)C=2SC=CC2)CC(C1)C |