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1,1-Dimethyl 2-ethyl 3-[2-(Aminocarbonyl)hydrazono]-1-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)butane-1,1,2-tricarboxylate

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1,1-Dimethyl 2-ethyl 3-[2-(Aminocarbonyl)hydrazono]-1-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)butane-1,1,2-tricarboxylate
SpectraBase Compound ID It1WuIxSK8y
InChI InChI=1S/C22H27N5O8/c1-6-35-18(29)16(12(2)24-25-21(23)32)22(19(30)33-4,20(31)34-5)15-13(3)26-27(17(15)28)14-10-8-7-9-11-14/h7-11,15-16H,6H2,1-5H3,(H3,23,25,32)/b24-12-
InChIKey XEQWWTKMBGOYNO-MSXFZWOLSA-N
Mol Weight 489.49 g/mol
Molecular Formula C22H27N5O8
Exact Mass 489.185963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaxW8GWFQSa
Name 1,1-Dimethyl 2-ethyl 3-[2-(Aminocarbonyl)hydrazono]-1-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)butane-1,1,2-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N5O8
InChI InChI=1S/C22H27N5O8/c1-6-35-18(29)16(12(2)24-25-21(23)32)22(19(30)33-4,20(31)34-5)15-13(3)26-27(17(15)28)14-10-8-7-9-11-14/h7-11,15-16H,6H2,1-5H3,(H3,23,25,32)/b24-12-
InChIKey XEQWWTKMBGOYNO-MSXFZWOLSA-N
Molecular Weight 489.485 g/mol
SMILES N(C(=O)N)\N=C/(C(C(C1C(N(c2ccccc2)N=C1C)=O)(C(=O)OC)C(=O)OC)C(=O)OCC)C
SPLASH splash10-0udu-0009800000-9b0d6ce0b94bb30c7f87
Source of Spectrum C5-2002-1550-7
Synonyms 2-Ethyl 1,1-dimethyl (3Z)-3-[(aminocarbonyl)hydrazono]-1-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,1,2-butanetricarboxylate
Wiley ID 1614860