| SpectraBase Compound ID | FatPdSidtxU |
|---|---|
| InChI | InChI=1S/C21H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21(22)23-20-18-6-4-2/h7-8H,3-6,9-20H2,1-2H3/b8-7+ |
| InChIKey | IGGCZPGKDZKTPZ-BQYQJAHWSA-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 | LHyineq4Twk |
|---|---|
| Name | Pentyl hexadec-12-enoate |
| 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/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21(22)23-20-18-6-4-2/h7-8H,3-6,9-20H2,1-2H3/b8-7+ |
| InChIKey | IGGCZPGKDZKTPZ-BQYQJAHWSA-N |
| Molecular Weight | 324.549 g/mol |
| SMILES | C(=O)(OCCCCC)CCCCCCCCCC\C=C\CCC |