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Eicosanoic acid, 2-methyl-
SpectraBase Compound ID EZ0tyylHtry
InChI InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
InChIKey IBZUBRHHBQMYKJ-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 AyPmEpzJ05h
Name Eicosanoic acid, 2-methyl-
Alternate Name(s) 2-Methylicosanoic acid 2-Methyleicosanoic acid
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Formula C21H42O2
InChI InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
InChIKey IBZUBRHHBQMYKJ-UHFFFAOYSA-N
Molecular Weight 326.565 g/mol
SMILES OC(C(CCCCCCCCCCCCCCCCCC)C)=O
SPLASH splash10-00b9-9113000000-34425eec013a5bce7f16
Source of Spectrum JX-2015-3-450
Wiley ID 1724016