| SpectraBase Spectrum ID |
3aHIsWvADw |
| Name |
iso-Propyl 9-.cis.,11-.trans.-octadecadienoate |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
322.287180462 u |
| Formula |
C21H38O2 |
| InChI |
InChI=1S/C21H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h9-12,20H,4-8,13-19H2,1-3H3/b10-9+,12-11- |
| InChIKey |
KSAOWHBTACAMPN-PVHUKWJHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
322.533 g/mol |
| Nominal Mass |
322 u |
| Quality |
994 |
| Retention Index |
2267 |
| SMILES |
C(OC(C)C)(CCCCCCC\C=C/C=C/CCCCCC)=O |
| SPLASH |
splash10-00pm-9320000000-585eb4a31e5c838ee364 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
propan-2-yl (9Z,11E)-octadeca-9,11-dienoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034625 |
