Butanedioic acid, [(2,4-dinitrophenyl)hydrazono](1-methyl-2-propenyl)-, dimethyl ester

SpectraBase Compound ID	5pejsJfDG1c
InChI	InChI=1S/C16H18N4O8/c1-5-9(2)13(15(21)27-3)14(16(22)28-4)18-17-11-7-6-10(19(23)24)8-12(11)20(25)26/h5-9,13,17H,1H2,2-4H3/b18-14-
InChIKey	AWKMKXOGOPYSKS-JXAWBTAJSA-N Google Search
Mol Weight	394.34 g/mol
Molecular Formula	C16H18N4O8
Exact Mass	394.112464 g/mol

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SpectraBase Spectrum ID	1T8X26y556o
Name	Butanedioic acid, [(2,4-dinitrophenyl)hydrazono](1-methyl-2-propenyl)-, dimethyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	394.112463548 u
Formula	C16H18N4O8
InChI	InChI=1S/C16H18N4O8/c1-5-9(2)13(15(21)27-3)14(16(22)28-4)18-17-11-7-6-10(19(23)24)8-12(11)20(25)26/h5-9,13,17H,1H2,2-4H3/b18-14-
InChIKey	AWKMKXOGOPYSKS-JXAWBTAJSA-N
Molecular Weight	394.340 g/mol
SMILES	C(\C(=N\NC=1C(N(=O)=O)=CC(N(=O)=O)=CC1)C(=O)OC)(C(=O)OC)C(C=C)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.892147