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Heneicosanoic acid, 3-ethyl-3-methyl-, methyl ester
SpectraBase Compound ID 4bXtNdwPOkc
InChI InChI=1S/C25H50O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(3,6-2)23-24(26)27-4/h5-23H2,1-4H3
InChIKey OUWLONJZIAUQBC-UHFFFAOYSA-N
Mol Weight 382.7 g/mol
Molecular Formula C25H50O2
Exact Mass 382.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdJ5pZySrWX
Name Heneicosanoic acid, 3-ethyl-3-methyl-, methyl ester
CAS Registry Number 55334-80-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H50O2
InChI InChI=1S/C25H50O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(3,6-2)23-24(26)27-4/h5-23H2,1-4H3
InChIKey OUWLONJZIAUQBC-UHFFFAOYSA-N
Molecular Weight 382.673 g/mol
SMILES C(CC(CCCCCCCCCCCCCCCCCC)(CC)C)(=O)OC
SPLASH splash10-0abc-9000000000-fbf35619f3788e8dd264
Source of Spectrum JX-2015-6-1796
Synonyms Methyl 3-ethyl-3-methylhenicosanoate 3-Ethyl-3-methyl-heneicosanoic acid methyl ester 3-Ethyl-3-methylheneicosanoic acid methyl ester Methyl 3-methyl-3-ethylheneicosanoate Methyl 3-ethyl-3-methyl-henicosanoate
Wiley ID 1728136