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Dimethyl (2E)-2-[{2-[(aminocarbonyl)hydrazono]-1-[(diethylamino)carbonyl]propyl}(cyclohexyl)amino]but-2-enedioate
SpectraBase Compound ID CNsGMxbxwrG
InChI InChI=1S/C21H35N5O6/c1-6-25(7-2)19(28)18(14(3)23-24-21(22)30)26(15-11-9-8-10-12-15)16(20(29)32-5)13-17(27)31-4/h13,15,18H,6-12H2,1-5H3,(H3,22,24,30)/b16-13+,23-14+
InChIKey OAWFCMDBILYUKZ-MEBXXKOGSA-N
Mol Weight 453.5 g/mol
Molecular Formula C21H35N5O6
Exact Mass 453.258734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BY73NTB3do3
Name Dimethyl (2E)-2-[{2-[(aminocarbonyl)hydrazono]-1-[(diethylamino)carbonyl]propyl}(cyclohexyl)amino]but-2-enedioate
Alternate Name(s) Dimethyl 2-(((E)-3-(2-carbamoylhydrazono)-1-(diethylamino)-1-oxobutan-2-yl)(cyclohexyl)amino)maleate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35N5O6
InChI InChI=1S/C21H35N5O6/c1-6-25(7-2)19(28)18(14(3)23-24-21(22)30)26(15-11-9-8-10-12-15)16(20(29)32-5)13-17(27)31-4/h13,15,18H,6-12H2,1-5H3,(H3,22,24,30)/b16-13+,23-14+
InChIKey OAWFCMDBILYUKZ-MEBXXKOGSA-N
Literature Reference DOI 10.1002/adsc.201000796
Molecular Weight 453.540 g/mol
SMILES N(\N=C\(C(N(\C(C(=O)OC)=C/C(=O)OC)C1CCCCC1)C(N(CC)CC)=O)C)C(=O)N
SPLASH splash10-002f-0942000000-cd338aff2b99492bcc5a
Source of Spectrum ASC-353-595/SM8-5f
Wiley ID 1764789