| SpectraBase Compound ID | IcxGVPdAf4y |
|---|---|
| InChI | InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h15-16H,3-14,17-20H2,1-2H3/b16-15+ |
| InChIKey | WTHJYETYGKIRAH-FOCLMDBBSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C21H40O2 |
| Exact Mass | 324.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZkZ2Y3n8Bl |
|---|---|
| Name | Methyl ester of cis-.delta.(5)-C(20:1) acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.302830526 u |
| Formula | C21H40O2 |
| InChI | InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h15-16H,3-14,17-20H2,1-2H3/b16-15+ |
| InChIKey | WTHJYETYGKIRAH-FOCLMDBBSA-N |
| Molecular Weight | 324.549 g/mol |
| SMILES | C(=O)(OC)CCCC\C=C\CCCCCCCCCCCCC |