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2-Butenoic acid, 4-[(2,4-dinitrophenyl)hydrazono]-3-methyl-, ethyl ester, (?,E)-
SpectraBase Compound ID IaLBiZTct3R
InChI InChI=1S/C13H14N4O6/c1-3-23-13(18)6-9(2)8-14-15-11-5-4-10(16(19)20)7-12(11)17(21)22/h4-8,15H,3H2,1-2H3/b9-6+,14-8+
InChIKey ZYJZVPHPWQIVEC-LOEGBLIASA-N
Mol Weight 322.28 g/mol
Molecular Formula C13H14N4O6
Exact Mass 322.091334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuVJm55a2f0
Name 2-Butenoic acid, 4-[(2,4-dinitrophenyl)hydrazono]-3-methyl-, ethyl ester, (?,E)-
Alternate Name(s) Fumaraldehydic acid, 3-methyl-, ethyl ester, (2,4-dinitrophenyl)hydrazone ethyl (2E,4E)-4-[(2,4-dinitrophenyl)hydrazono]-3-methyl-2-butenoate Ethyl trans-3-formyl-2-butenoate
CAS Registry Number 96431-55-9
Comments Less than 3 mono-isotopic peaks
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Formula C13H14N4O6
InChI InChI=1S/C13H14N4O6/c1-3-23-13(18)6-9(2)8-14-15-11-5-4-10(16(19)20)7-12(11)17(21)22/h4-8,15H,3H2,1-2H3/b9-6+,14-8+
InChIKey ZYJZVPHPWQIVEC-LOEGBLIASA-N
Molecular Weight 322.277 g/mol
SMILES N(\N=C\C(=C\C(=O)OCC)C)c1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-0002-9000000000-9c6568b7480dd165535b
Source of Spectrum J-51-258-1
Wiley ID 1321316