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Diisopropyl 2-[N,N'-dimethylbarbituric acid - 5'-yl-5'-ylide]-3-pyridinium-1,4-butanedioate
SpectraBase Compound ID K6ossGdad3v
InChI InChI=1S/C21H27N3O7/c1-12(2)30-19(27)14(15-17(25)22(5)21(29)23(6)18(15)26)16(20(28)31-13(3)4)24-10-8-7-9-11-24/h7-14,16H,1-6H3
InChIKey VQJKTDOLMPBPLL-UHFFFAOYSA-N
Mol Weight 433.46 g/mol
Molecular Formula C21H27N3O7
Exact Mass 433.1849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZMCDwnre4
Name Diisopropyl 2-[N,N'-dimethylbarbituric acid - 5'-yl-5'-ylide]-3-pyridinium-1,4-butanedioate
Alternate Name(s) 5-[1,4-dioxo-1,4-di(propan-2-yloxy)-3-(1-pyridin-1-iumyl)butan-2-yl]-1,3-dimethyl-2,6-dioxo-4-pyrimidinolate 5-[1,4-dioxo-1,4-di(propan-2-yloxy)-3-pyridin-1-ium-1-ylbutan-2-yl]-1,3-dimethyl-2,6-dioxopyrimidin-4-olate 5-(3-isopropoxy-1-isopropoxycarbonyl-3-oxo-2-pyridin-1-ium-1-yl-propyl)-1,3-dimethyl-2,6-dioxo-pyrimidin-4-olate 5-[1,4-bis(oxidanylidene)-1,4-di(propan-2-yloxy)-3-pyridin-1-ium-1-yl-butan-2-yl]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-olate
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Formula C21H27N3O7
InChI InChI=1S/C21H27N3O7/c1-12(2)30-19(27)14(15-17(25)22(5)21(29)23(6)18(15)26)16(20(28)31-13(3)4)24-10-8-7-9-11-24/h7-14,16H,1-6H3
InChIKey VQJKTDOLMPBPLL-UHFFFAOYSA-N
Molecular Weight 433.461 g/mol
SMILES [C-]1(C(N(C)C(N(C1=O)C)=O)=O)C(C(OC(C)C)=O)C(C(OC(C)C)=O)[n+]1ccccc1
SPLASH splash10-004l-9260000000-6652b6371ea94719161c
Source of Spectrum AH-133-1334-8
Wiley ID 1546751