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Brassidate <methyl->
SpectraBase Compound ID GrFzPBRsk8e
InChI InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10+
InChIKey ZYNDJIBBPLNPOW-ZHACJKMWSA-N
Mol Weight 352.6 g/mol
Molecular Formula C23H44O2
Exact Mass 352.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mnCSJuUx9r
Name Brassidate
CAS Registry Number 7439-44-3
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 352.334130655 u
Formula C23H44O2
InChI InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10+
InChIKey ZYNDJIBBPLNPOW-ZHACJKMWSA-N
Molecular Weight 352.603 g/mol
Number of Peaks 289
RI2 2239
RI4 2510
RI5 2179
SMILES C(CCCCCCCCCCC\C=C\CCCCCCCC)(=O)OC
SPLASH splash10-05mn-9310000000-d4f77c71ba2ab12a18f8
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 13-Docosenoic acid, methyl ester, (13E)- Me. C22:1n10
Wiley ID LM_LIPIDS2016_197