SpectraBase Spectrum ID |
DocNpQKmqUi |
Name |
Isopropyl stearate |
CAS Registry Number |
112-10-7 |
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 |
326.318480590 u |
Formula |
C21H42O2 |
InChI |
InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h20H,4-19H2,1-3H3 |
InChIKey |
ZPWFUIUNWDIYCJ-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
326.565 g/mol |
Nominal Mass |
326 u |
Quality |
961 |
Retention Index |
2350 |
SMILES |
C(OC(C)C)(CCCCCCCCCCCCCCCCC)=O |
SPLASH |
splash10-0536-9330000000-4a9f6954a0c080936090 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Octadecanoic acid,1-methylethyl ester
Wickenol 127
Propan-2-yl-octadecanoate |
Technique |
GC/MS |
Wiley ID |
DD2024_001786 |