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Cerebronate <methyl->
SpectraBase Compound ID FVcx5lJnYyd
InChI InChI=1S/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)25(27)28-2/h24,26H,3-23H2,1-2H3
InChIKey MSVLAXSCPVNLFM-UHFFFAOYSA-N
Mol Weight 398.7 g/mol
Molecular Formula C25H50O3
Exact Mass 398.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vOJhctUYDe
Name Cerebronate
CAS Registry Number 2433-95-6
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 398.375995467 u
Formula C25H50O3
InChI InChI=1S/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)25(27)28-2/h24,26H,3-23H2,1-2H3
InChIKey MSVLAXSCPVNLFM-UHFFFAOYSA-N
Molecular Weight 398.672 g/mol
Number of Peaks 217
RI2 2405
RI4 2862
SMILES OC(C(=O)OC)CCCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-0a4j-9301000000-4f0c7d40ee2c44cfe511
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 Tetracosanoic acid, 2-hydroxy-, methyl ester Me. 2-OH C24:0
Wiley ID LM_LIPIDS2016_138