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Methyl nonacosanoate
SpectraBase Compound ID GePcvPf2yOG
InChI InChI=1S/C30H60O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32-2/h3-29H2,1-2H3
InChIKey WGNBXLBBAVTMCK-UHFFFAOYSA-N
Mol Weight 452.8 g/mol
Molecular Formula C30H60O2
Exact Mass 452.459331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DOEdtl04aW
Name Nonacosanoate
CAS Registry Number 4082-55-7
Classification Fatty esters; Fatty acid methyl esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 452.459331170 u
Formula C30H60O2
InChI InChI=1S/C30H60O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32-2/h3-29H2,1-2H3
InChIKey WGNBXLBBAVTMCK-UHFFFAOYSA-N
Molecular Weight 452.808 g/mol
Number of Peaks 50
RI4 3233
RI5 2843
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)(=O)OC
SPLASH splash10-05g0-9200100000-cb61c02eaa8607f6b675
Sample Comments RI1: measured on Equity-1 (Alkanes) RI2: measured on Supelcowax-10 (FAMEs) RI3: measured on Supelcowax-10 (FAEEs) RI4: measured on SLB-5ms (Alkanes) RI5: measured on SLB-5ms (FAMEs)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Nonacosanoic acid, methyl ester Me. C29:0
Wiley ID LM_LIPIDS2016_177