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(9E,11E)-9,13-dinitrooctadeca-9,11-dienoic acid ethyl ester
SpectraBase Compound ID JC9TeSMs8xb
InChI InChI=1S/C20H34N2O6/c1-3-5-9-13-18(21(24)25)15-12-16-19(22(26)27)14-10-7-6-8-11-17-20(23)28-4-2/h12,15-16,18H,3-11,13-14,17H2,1-2H3/b15-12+,19-16+
InChIKey ZPZOBCUVKVMRKX-JWVLYZBLSA-N
Mol Weight 398.5 g/mol
Molecular Formula C20H34N2O6
Exact Mass 398.241687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cb1K8FFSlsd
Name (9E,11E)-9,13-dinitrooctadeca-9,11-dienoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34N2O6
InChI InChI=1S/C20H34N2O6/c1-3-5-9-13-18(21(24)25)15-12-16-19(22(26)27)14-10-7-6-8-11-17-20(23)28-4-2/h12,15-16,18H,3-11,13-14,17H2,1-2H3/b15-12+,19-16+
InChIKey ZPZOBCUVKVMRKX-JWVLYZBLSA-N
Molecular Weight 398.500 g/mol
SMILES C(CCCCCCC\C(=C/C=C/C(CCCCC)N(=O)=O)N(=O)=O)(=O)OCC
SPLASH splash10-08fr-0898000000-b3b44c7f447e694387fd
Source of Spectrum J-65-4856-8
Wiley ID 1532841