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Fatty acid (Erucic)
SpectraBase Compound ID 4XWI08gVM6U
InChI InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-
InChIKey DPUOLQHDNGRHBS-KTKRTIGZSA-N
Mol Weight 338.6 g/mol
Molecular Formula C22H42O2
Exact Mass 338.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPFVYQoglJ
Name cis-13-docosenoic acid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H42O2
GC Oven Program Oven temp 270oC, Splitless injector
InChI InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-
InChIKey DPUOLQHDNGRHBS-KTKRTIGZSA-N
Instrument Name Thermo Scientific GC-MS
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2021.101196
Molecular Weight 338.576 g/mol
SMILES OC(CCCCCCCCCCC\C=C/CCCCCCCC)=O
SPLASH splash10-0cgj-9400000000-b6652c60a04d15e9f966
Source of Spectrum SCS-25-7-DEA
Synonyms Erucic acid
Wiley ID 1879642