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Stearic acid, isopropyl ester
SpectraBase Compound ID LDYre3XBnyF
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
Mol Weight 326.6 g/mol
Molecular Formula C21H42O2
Exact Mass 326.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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