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Dimethyl (2E)-2-[{2-[(aminocarbonyl)hydrazono]-1-[(diethylamino)carbonyl]propyl}(benzyl)amino]but-2-enedioate
SpectraBase Compound ID HqiqeRGjlkf
InChI InChI=1S/C22H31N5O6/c1-6-26(7-2)20(29)19(15(3)24-25-22(23)31)27(14-16-11-9-8-10-12-16)17(21(30)33-5)13-18(28)32-4/h8-13,19H,6-7,14H2,1-5H3,(H3,23,25,31)/b17-13+,24-15+
InChIKey ASDGMJRFJXSZQR-BRMJMBBHSA-N
Mol Weight 461.52 g/mol
Molecular Formula C22H31N5O6
Exact Mass 461.227434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AirGLsXXk7F
Name Dimethyl (2E)-2-[{2-[(aminocarbonyl)hydrazono]-1-[(diethylamino)carbonyl]propyl}(benzyl)amino]but-2-enedioate
Alternate Name(s) Dimethyl 2-(benzyl((E)-3-(2-carbamoylhydrazono)-1-(diethylamino)-1-oxobutan-2-yl)amino)maleate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31N5O6
InChI InChI=1S/C22H31N5O6/c1-6-26(7-2)20(29)19(15(3)24-25-22(23)31)27(14-16-11-9-8-10-12-16)17(21(30)33-5)13-18(28)32-4/h8-13,19H,6-7,14H2,1-5H3,(H3,23,25,31)/b17-13+,24-15+
InChIKey ASDGMJRFJXSZQR-BRMJMBBHSA-N
Molecular Weight 461.519 g/mol
SMILES N(C(=O)N)\N=C\(C(N(\C(=C\C(=O)OC)C(=O)OC)Cc1ccccc1)C(N(CC)CC)=O)C
SPLASH splash10-029i-0359000000-7a7c218befc00660b6e3
Source of Spectrum ASC-351-715/SM8-(E)_5i
Wiley ID 1763661