| SpectraBase Spectrum ID |
7fVtXhe5Dlq |
| Name |
Elaidicacid-iso-propyl ester |
| CAS Registry Number |
22147-34-8 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
324.302830526 u |
| Formula |
C21H40O2 |
| InChI |
InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3/b12-11+ |
| InChIKey |
PZQSQRCNMZGWFT-VAWYXSNFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
324.549 g/mol |
| Nominal Mass |
324 u |
| Quality |
994 |
| Retention Index |
2279 |
| SMILES |
C(OC(C)C)(CCCCCCC\C=C\CCCCCCCC)=O |
| SPLASH |
splash10-02tc-9420000000-ecc1f8345c2d21a35106 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
propan-2-yl (9E)-octadec-9-enoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033261 |
