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Tetracontane, 19,22-dimethyl-
SpectraBase Compound ID AvwW3jeG93c
InChI InChI=1S/C42H86/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(3)39-40-42(4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h41-42H,5-40H2,1-4H3
InChIKey LUGGAGUPWVQXOT-UHFFFAOYSA-N
Mol Weight 591.2 g/mol
Molecular Formula C42H86
Exact Mass 590.672953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DI4YUnwKXfJ
Name Tetracontane, 19,22-dimethyl-
CAS Registry Number 73087-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H86
InChI InChI=1S/C42H86/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(3)39-40-42(4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h41-42H,5-40H2,1-4H3
InChIKey LUGGAGUPWVQXOT-UHFFFAOYSA-N
Molecular Weight 591.150 g/mol
SMILES C(CC(CCCCCCCCCCCCCCCCCC)C)C(CCCCCCCCCCCCCCCCCC)C
SPLASH splash10-0019-0079030000-6b8817afa53a401cfea9
Source of Spectrum K-113-453-0
Synonyms 19,22-Dimethyltetracontane Methylester of 6-methyltetracosanoic acid
Wiley ID 1409395