| SpectraBase Compound ID | 7eapLrD0VV6 |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-3-15-13(14)11(2)9-10-12-7-5-4-6-8-12/h9-10H,3-8H2,1-2H3/b11-9+ |
| InChIKey | SEMGHNDZQKRWEO-PKNBQFBNSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C13H20O2 |
| Exact Mass | 208.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmG7xVjdQEc |
|---|---|
| Name | (E)-4-Cyclohexylidene-2-methyl-2-butenoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.146329882 u |
| Formula | C13H20O2 |
| InChI | InChI=1S/C13H20O2/c1-3-15-13(14)11(2)9-10-12-7-5-4-6-8-12/h9-10H,3-8H2,1-2H3/b11-9+ |
| InChIKey | SEMGHNDZQKRWEO-PKNBQFBNSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | C(\C(=C\C=C1CCCCC1)C)(=O)OCC |