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Eicosanoic acid, 3-methyl-, methyl ester
SpectraBase Compound ID EkHYPxW4yxp
InChI InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20-22(23)24-3/h21H,4-20H2,1-3H3
InChIKey NQEGWOZIKQFTCQ-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 3cnPGrIJJT3
Name Eicosanoic acid, 3-methyl-, methyl ester
Alternate Name(s) Methyl 3-methylicosanoate 3-Methylarachidic acid methyl ester 3-Methyleicosanoic acid methyl ester Methyl 3-methyleicosanoate
CAS Registry Number 55334-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H44O2
InChI InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20-22(23)24-3/h21H,4-20H2,1-3H3
InChIKey NQEGWOZIKQFTCQ-UHFFFAOYSA-N
Molecular Weight 340.592 g/mol
SMILES C(CC(CCCCCCCCCCCCCCCCC)C)(=O)OC
SPLASH splash10-0fkc-9200000000-53813fab38fb78bc065d
Source of Spectrum JX-2015-6-4864
Wiley ID 1728948