| SpectraBase Compound ID | BSPZYB7HZAL |
|---|---|
| InChI | InChI=1S/C13H18O2S/c1-2-10-6-3-4-7-11(10)15-13(14)12-8-5-9-16-12/h5,8-11H,2-4,6-7H2,1H3 |
| InChIKey | PCBZMDVWUIWSOM-UHFFFAOYSA-N |
| Mol Weight | 238.34 g/mol |
| Molecular Formula | C13H18O2S |
| Exact Mass | 238.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ETznEwtmQt0 |
|---|---|
| Name | 2-Thiophenecarboxylic acid, 2-ethylcyclohexyl 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/c1-2-10-6-3-4-7-11(10)15-13(14)12-8-5-9-16-12/h5,8-11H,2-4,6-7H2,1H3 |
| InChIKey | PCBZMDVWUIWSOM-UHFFFAOYSA-N |
| Molecular Weight | 238.345 g/mol |
| SMILES | CCC1CCCCC1OC(=O)C=1SC=CC1 |