| SpectraBase Compound ID | 1ocQaTpUPsl |
|---|---|
| InChI | InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h8-9H,3-7,10-19H2,1-2H3/b9-8- |
| InChIKey | QSZKEDWVAOAFQY-HJWRWDBZSA-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 | DEPrY6itJJJ |
|---|---|
| Name | 11-cis-Vaccenyl acetate |
| 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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h8-9H,3-7,10-19H2,1-2H3/b9-8- |
| InChIKey | QSZKEDWVAOAFQY-HJWRWDBZSA-N |
| Molecular Weight | 310.522 g/mol |
| SMILES | C(\C=C/CCCCCCCCCCOC(C)=O)CCCCC |