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Octadecanoic acid, 4,8,12-trimethyl-, methyl ester
SpectraBase Compound ID BIsv1bua6Q9
InChI InChI=1S/C22H44O2/c1-6-7-8-9-12-19(2)13-10-14-20(3)15-11-16-21(4)17-18-22(23)24-5/h19-21H,6-18H2,1-5H3
InChIKey DLMMLNWCOULABE-UHFFFAOYSA-N
Mol Weight 340.6 g/mol
Molecular Formula C22H44O2
Exact Mass 340.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAc9JHeQ8Te
Name Octadecanoic acid, 4,8,12-trimethyl-, methyl ester
Alternate Name(s) Methyl 4,8,12-trimethyloctadecanoate 4,8,12-trimethyloctadecanoic acid methyl ester 4,8,12-trimethylstearic acid methyl ester
CAS Registry Number 29366-66-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H44O2
InChI InChI=1S/C22H44O2/c1-6-7-8-9-12-19(2)13-10-14-20(3)15-11-16-21(4)17-18-22(23)24-5/h19-21H,6-18H2,1-5H3
InChIKey DLMMLNWCOULABE-UHFFFAOYSA-N
Molecular Weight 340.592 g/mol
SMILES C(CCC(CCCC(CCCC(CCCCCC)C)C)C)(=O)OC
SPLASH splash10-052r-9000000000-4755a65c0862497612e7
Source of Spectrum JX-2015-6-5689
Wiley ID 1729219