| SpectraBase Compound ID | 97e6PvJzYPL |
|---|---|
| InChI | InChI=1S/C20H38O3/c1-4-5-6-7-8-9-10-11-12-13-16-19(22-2)17-14-15-18-20(21)23-3/h14,17,19H,4-13,15-16,18H2,1-3H3/b17-14+ |
| InChIKey | LCDPKFKLMSDHNS-SAPNQHFASA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C20H38O3 |
| Exact Mass | 326.282095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNupCnWN3Qa |
|---|---|
| Name | Methyl (E)-6-methoxyoctadec-4-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.282095081 u |
| Formula | C20H38O3 |
| InChI | InChI=1S/C20H38O3/c1-4-5-6-7-8-9-10-11-12-13-16-19(22-2)17-14-15-18-20(21)23-3/h14,17,19H,4-13,15-16,18H2,1-3H3/b17-14+ |
| InChIKey | LCDPKFKLMSDHNS-SAPNQHFASA-N |
| Molecular Weight | 326.521 g/mol |
| SMILES | C(CC\C=C\C(CCCCCCCCCCCC)OC)(=O)OC |