| SpectraBase Compound ID | JD5AF5nEiig |
|---|---|
| InChI | InChI=1S/C20H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h9-10,19H,4-8,11-18H2,1-3H3/b10-9- |
| InChIKey | UYAPXQFCVUAMKO-KTKRTIGZSA-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 | KcGUyfyWl9P |
|---|---|
| Name | cis-9-Hexadecenoic acid, isobutyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h9-10,19H,4-8,11-18H2,1-3H3/b10-9- |
| InChIKey | UYAPXQFCVUAMKO-KTKRTIGZSA-N |
| Molecular Weight | 310.522 g/mol |
| SMILES | C(CCC(OCC(C)C)=O)CCCC\C=C/CCCCCC |