| SpectraBase Compound ID | IfwfeNgSJw7 |
|---|---|
| InChI | InChI=1S/C21H40O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-21(22)23-20-18-16-8-6-4-2/h9-10H,3-8,11-20H2,1-2H3/b10-9- |
| InChIKey | YTGSOFPVDKCFRK-KTKRTIGZSA-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 | Ar1T1aOizHf |
|---|---|
| Name | cis-9-Tetradecenoic acid, heptyl ester |
| 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/c1-3-5-7-9-10-11-12-13-14-15-17-19-21(22)23-20-18-16-8-6-4-2/h9-10H,3-8,11-20H2,1-2H3/b10-9- |
| InChIKey | YTGSOFPVDKCFRK-KTKRTIGZSA-N |
| Molecular Weight | 324.549 g/mol |
| SMILES | C(CCC(OCCCCCCC)=O)CCCC\C=C/CCCC |