| SpectraBase Compound ID | E41mA5onqWJ |
|---|---|
| InChI | InChI=1S/C20H38O2/c1-4-7-9-11-12-13-15-17-19(16-14-10-8-5-2)18-20(21)22-6-3/h17H,4-16,18H2,1-3H3/b19-17+ |
| InChIKey | KNKVYBLTKGSEGT-HTXNQAPBSA-N |
| Mol Weight | 310.5 g/mol |
| Molecular Formula | C20H38O2 |
| Exact Mass | 310.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I2jnhlfaIoZ |
|---|---|
| Name | (E)-3-Hexyl-3-dodecenoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.287180462 u |
| Formula | C20H38O2 |
| InChI | InChI=1S/C20H38O2/c1-4-7-9-11-12-13-15-17-19(16-14-10-8-5-2)18-20(21)22-6-3/h17H,4-16,18H2,1-3H3/b19-17+ |
| InChIKey | KNKVYBLTKGSEGT-HTXNQAPBSA-N |
| Molecular Weight | 310.522 g/mol |
| SMILES | C(=O)(C\C(=C\CCCCCCCC)CCCCCC)OCC |