| SpectraBase Compound ID | AYC4HKnQi5X |
|---|---|
| InChI | InChI=1S/C14H20O2S/c1-10-6-11(2)8-12(7-10)16-14(15)9-13-4-3-5-17-13/h3-5,10-12H,6-9H2,1-2H3 |
| InChIKey | VCWWRDWXIMTTDK-UHFFFAOYSA-N |
| Mol Weight | 252.37 g/mol |
| Molecular Formula | C14H20O2S |
| Exact Mass | 252.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bee90gRG2uU |
|---|---|
| Name | 2-Thiopheneacetic acid, 3,5-dimethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.118401056 u |
| Formula | C14H20O2S |
| InChI | InChI=1S/C14H20O2S/c1-10-6-11(2)8-12(7-10)16-14(15)9-13-4-3-5-17-13/h3-5,10-12H,6-9H2,1-2H3 |
| InChIKey | VCWWRDWXIMTTDK-UHFFFAOYSA-N |
| Molecular Weight | 252.372 g/mol |
| SMILES | CC1CC(CC(C)C1)OC(=O)CC=1SC=CC1 |