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Brassidate

View entire compound with spectra: 4 MS (GC)

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 730Hp35321E
Name 13-Docosenoic acid, methyl ester
CAS Registry Number 56630-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OC
SPLASH splash10-052f-9000000000-a601e831c3bccfad29e3
Source of Spectrum Va-0-0-0
Synonyms Methyl (13E)-13-docosenoate (E)-13-docosenoic acid methyl ester (E)-docos-13-enoic acid methyl ester Methyl (E)-docos-13-enoate Methyl 13-docosenoate
Wiley ID 739946