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2,2-[(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidine-5,5-diyl)]bis{3-[(anilinocarbonyl)hydrazono]butanoate}
SpectraBase Compound ID KhjScio7q9T
InChI InChI=1S/C30H34N8O9/c1-17(33-35-27(43)31-19-13-9-7-10-14-19)21(23(39)46-5)30(25(41)37(3)29(45)38(4)26(30)42)22(24(40)47-6)18(2)34-36-28(44)32-20-15-11-8-12-16-20/h7-16,21-22H,1-6H3,(H2,31,35,43)(H2,32,36,44)
InChIKey KHDFMYGQOGSKLJ-UHFFFAOYSA-N
Mol Weight 650.6 g/mol
Molecular Formula C30H34N8O9
Exact Mass 650.244875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pQy8Cxmt1t
Name 2,2-[(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidine-5,5-diyl)]bis{3-[(anilinocarbonyl)hydrazono]butanoate}
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34N8O9
InChI InChI=1S/C30H34N8O9/c1-17(33-35-27(43)31-19-13-9-7-10-14-19)21(23(39)46-5)30(25(41)37(3)29(45)38(4)26(30)42)22(24(40)47-6)18(2)34-36-28(44)32-20-15-11-8-12-16-20/h7-16,21-22H,1-6H3,(H2,31,35,43)(H2,32,36,44)
InChIKey KHDFMYGQOGSKLJ-UHFFFAOYSA-N
Molecular Weight 650.649 g/mol
SMILES N(N=C(C(C1(C(C(=NNC(=O)Nc2ccccc2)C)C(=O)OC)C(N(C(N(C1=O)C)=O)C)=O)C(=O)OC)C)C(=O)Nc1ccccc1
SPLASH splash10-0a70-0002920000-a038bf788de002db7676
Source of Spectrum F-71-7286-3d
Synonyms Dimethyl 2,2'-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidine-5,5-diyl)bis(3-(2-(phenylcarbamoyl)hydrazineylidene)butanoate)
Wiley ID 1803108