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3-Methylheneicosanoic acid

View entire compound with spectra: 2 MS (GC)

3-Methylheneicosanoic acid
SpectraBase Compound ID 47oi54sUHU6
InChI InChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20-22(23)24/h21H,3-20H2,1-2H3,(H,23,24)
InChIKey XWZDKRSAHZJFFY-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 2JxvK9omj9n
Name 3-Methylheneicosanoic acid
Alternate Name(s) 3-Methylhenicosanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H44O2
InChI InChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20-22(23)24/h21H,3-20H2,1-2H3,(H,23,24)
InChIKey XWZDKRSAHZJFFY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19801130205
Molecular Weight 340.592 g/mol
SMILES OC(CC(CCCCCCCCCCCCCCCCCC)C)=O
SPLASH splash10-0006-5009000000-697136c9792f57139e58
Source of Spectrum K-113-453-2
Wiley ID 1792666