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methyl (12E,14Z)-icosa-12,14-dienoate
SpectraBase Compound ID IZB3k9IL7qW
InChI InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-10H,3-6,11-20H2,1-2H3/b8-7-,10-9+
InChIKey RWELUKXOSJUDPN-UQGDGPGGSA-N
Mol Weight 322.5 g/mol
Molecular Formula C21H38O2
Exact Mass 322.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YFIGy6pF2
Name methyl (12E,14Z)-icosa-12,14-dienoate
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.287180462 u
Formula C21H38O2
GC Column CP SIL 88 (100 m x 0.25 mm, film thickness 0.2 micrometer)
GC Oven Program Oven temp 240oC
InChI InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-10H,3-6,11-20H2,1-2H3/b8-7-,10-9+
InChIKey RWELUKXOSJUDPN-UQGDGPGGSA-N
Inlet Type split/splitless
Instrument Name PolarisQ IT
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200500382
Molecular Weight 322.533 g/mol
Quality 898
SMILES CCCCC\C=C/C=C/CCCCCCCCCCC(OC)=O
SPLASH splash10-00lr-9721000000-a5cfaa4f66df665702c1
Source of Spectrum SEP-29-364-Figure 7A (DOI: 10.1002/jssc.200500382)
Wiley ID 1909597