| SpectraBase Compound ID | 9jywf8fbeId |
|---|---|
| InChI | InChI=1S/C19H32O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h7,9,12,15H,3-6,8,10-11,13-14,16-17H2,1-2H3/b9-7+,15-12+ |
| InChIKey | XOSMLGFHFPGNQV-KDFHGORWSA-N |
| Mol Weight | 308.5 g/mol |
| Molecular Formula | C19H32O3 |
| Exact Mass | 308.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CVOPSpAUuU9 |
|---|---|
| Name | Methyl octadecan-10(E),12(E)-dien-9-onoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.235144887 u |
| Formula | C19H32O3 |
| InChI | InChI=1S/C19H32O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h7,9,12,15H,3-6,8,10-11,13-14,16-17H2,1-2H3/b9-7+,15-12+ |
| InChIKey | XOSMLGFHFPGNQV-KDFHGORWSA-N |
| Molecular Weight | 308.462 g/mol |
| SMILES | C(=O)(OC)CCCCCCCC(\C=C\C=C\CCCCC)=O |