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2-Butenoic acid, 2-isooctyl-4,6-dinitrophenyl ester
SpectraBase Compound ID 1tfOyPSnvbl
InChI InChI=1S/C18H24N2O6/c1-4-8-17(21)26-18-14(10-7-5-6-9-13(2)3)11-15(19(22)23)12-16(18)20(24)25/h4,8,11-13H,5-7,9-10H2,1-3H3/b8-4-
InChIKey CJODAJKFLVIKHL-YWEYNIOJSA-N
Mol Weight 364.4 g/mol
Molecular Formula C18H24N2O6
Exact Mass 364.163436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WPeXbJvquC
Name 2-Butenoic acid, 2-isooctyl-4,6-dinitrophenyl ester
CAS Registry Number 39300-45-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N2O6
InChI InChI=1S/C18H24N2O6/c1-4-8-17(21)26-18-14(10-7-5-6-9-13(2)3)11-15(19(22)23)12-16(18)20(24)25/h4,8,11-13H,5-7,9-10H2,1-3H3/b8-4-
InChIKey CJODAJKFLVIKHL-YWEYNIOJSA-N
Molecular Weight 364.398 g/mol
SMILES c1(N(=O)=O)c(c(CCCCCC(C)C)cc(N(=O)=O)c1)OC(\C=C/C)=O
SPLASH splash10-014i-9000000000-01db1d0aa94fe59ee4ad
Source of Spectrum W5-31754-0-0
Synonyms 2-(6-Methylheptyl)-4,6-dinitrophenyl (2Z)-2-butenoat (Z)-2-butenoic acid [2-(6-methylheptyl)-4,6-dinitrophenyl] ester [2-(6-methylheptyl)-4,6-dinitrophenyl] (Z)-but-2-enoate [2-(6-methylheptyl)-4,6-dinitro-phenyl] (Z)-but-2-enoate Caratan Carathane Crotothane Dinocap Karatan Karathane Mancokar Mildex
Wiley ID 1350665