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Octadecanoic acid, 4-methyl-, methyl ester
SpectraBase Compound ID 1eyJk7Q85gb
InChI InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)17-18-20(21)22-3/h19H,4-18H2,1-3H3
InChIKey CBENGISEODOOAY-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQyvARELTDL
Name Octadecanoic acid, 4-methyl-, methyl ester
Alternate Name(s) Methyl 4-methyloctadecanoate 4-Methyloctadecanoic acid methyl ester 4-Methylstearic acid methyl ester Methyl 4-methyloctadecanoic acid
CAS Registry Number 2490-15-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)17-18-20(21)22-3/h19H,4-18H2,1-3H3
InChIKey CBENGISEODOOAY-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES C(C(CCCCCCCCCCCCCC)C)CC(OC)=O
SPLASH splash10-059l-9120000000-7d7771c51b4746c8e794
Source of Spectrum EP-1118-0-0
Wiley ID 1313764