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N-(Aminocarbonyl)-N'-[4-bromo-3-(ethoxycarbonyl)-4,4-di(methoxycarbonyl)buta-2-ylidene]hydrazone
SpectraBase Compound ID 29PDGaj2XVm
InChI InChI=1S/C12H18BrN3O7/c1-5-23-8(17)7(6(2)15-16-11(14)20)12(13,9(18)21-3)10(19)22-4/h7H,5H2,1-4H3,(H3,14,16,20)/b15-6+
InChIKey AKWFGFUGHNUKJX-GIDUJCDVSA-N
Mol Weight 396.19 g/mol
Molecular Formula C12H18BrN3O7
Exact Mass 395.032813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PiPLJLbWFZ
Name N-(Aminocarbonyl)-N'-[4-bromo-3-(ethoxycarbonyl)-4,4-di(methoxycarbonyl)buta-2-ylidene]hydrazone
Comments Less than 3 mono-isotopic peaks
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Formula C12H18BrN3O7
InChI InChI=1S/C12H18BrN3O7/c1-5-23-8(17)7(6(2)15-16-11(14)20)12(13,9(18)21-3)10(19)22-4/h7H,5H2,1-4H3,(H3,14,16,20)/b15-6+
InChIKey AKWFGFUGHNUKJX-GIDUJCDVSA-N
Molecular Weight 396.194 g/mol
SMILES N(C(=O)N)\N=C\(C(C(C(=O)OC)(C(=O)OC)Br)C(=O)OCC)C
SPLASH splash10-014i-0009000000-3f66615e602e69d80881
Source of Spectrum J-64-9657-5
Synonyms (3E)-1-bromo-3-(carbamoylhydrazinylidene)butane-1,1,2-tricarboxylic acid O2-ethyl ester O1,O1-dimethyl ester 2-O-ethyl 1-O,1-O-dimethyl (3E)-1-bromo-3-(carbamoylhydrazinylidene)butane-1,1,2-tricarboxylate O2-ethyl O1,O1-dimethyl (3E)-1-bromo-3-(carbamoylhydrazono)butane-1,1,2-tricarboxylate O2-ethyl O1,O1-dimethyl (3E)-3-(aminocarbonylhydrazinylidene)-1-bromanyl-butane-1,1,2-tricarboxylate
Wiley ID 1531832