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Pentacosanoic acid, 4-methyl-, methyl ester
SpectraBase Compound ID GvgSW8gqEOv
InChI InChI=1S/C27H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(2)24-25-27(28)29-3/h26H,4-25H2,1-3H3
InChIKey VRWCCAAYOJYWSF-UHFFFAOYSA-N
Mol Weight 410.7 g/mol
Molecular Formula C27H54O2
Exact Mass 410.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQYPJBBzDlq
Name Pentacosanoic acid, 4-methyl-, methyl ester
Alternate Name(s) Methyl 4-methylpentacosanoate 4-Methylpentacosanoic acid methyl ester
CAS Registry Number 55281-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H54O2
InChI InChI=1S/C27H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(2)24-25-27(28)29-3/h26H,4-25H2,1-3H3
InChIKey VRWCCAAYOJYWSF-UHFFFAOYSA-N
Molecular Weight 410.727 g/mol
SMILES C(CCC(CCCCCCCCCCCCCCCCCCCCC)C)(=O)OC
SPLASH splash10-052u-9000000000-d029995bd7c8e285d264
Source of Spectrum JX-2015-6-5732
Wiley ID 1729227