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Stearic acid, isopropyl ester

View entire compound with spectra: 3 NMR, 3 FTIR, and 6 MS (GC)

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 8wLralEM2DW
Name 1-Methylethyl octadecanoate
Alternate Name(s) Isopropyl stearate Isopropyl octadecanoate Octadecanoic acid propan-2-yl ester Octadecanoic acid, 1-methylethyl ester Octadecanoic acid, isopropyl ester Propan-2-yl octadecanoate Revenge stearic acid isopropyl ester Tegosoft S Wickenol 127
CAS Registry Number 112-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 326.565 g/mol
SMILES C(=O)(CCCCCCCCCCCCCCCCC)OC(C)C
SPLASH splash10-06xx-9210000000-f39960845d39c71e0394
Wiley ID 1503769