| SpectraBase Compound ID | KdfVvWqiAAe |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-3-14-12(13)9-10(2)11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3/b10-9+ |
| InChIKey | QYHINSWQNUZZDQ-MDZDMXLPSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DzIUjnX3Orb |
|---|---|
| Name | Ethyl (E)-3-cyclohexyl-2-butenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-3-14-12(13)9-10(2)11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3/b10-9+ |
| InChIKey | QYHINSWQNUZZDQ-MDZDMXLPSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1(CCCCC1)\C(C)=C\C(OCC)=O |