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di(t-Butyl) 2-[N,N'-dimethylbarbituric acid - 5'-yl-5'-ylide]-3-pyridinium-1,4-butanedioate
SpectraBase Compound ID CEt7Flgfbvl
InChI InChI=1S/C23H31N3O7/c1-22(2,3)32-19(29)14(15-17(27)24(7)21(31)25(8)18(15)28)16(20(30)33-23(4,5)6)26-12-10-9-11-13-26/h9-14,16H,1-8H3
InChIKey ZBJGXJPWUJZFEJ-UHFFFAOYSA-N
Mol Weight 461.52 g/mol
Molecular Formula C23H31N3O7
Exact Mass 461.2162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VhXPzw0If2
Name di(t-Butyl) 2-[N,N'-dimethylbarbituric acid - 5'-yl-5'-ylide]-3-pyridinium-1,4-butanedioate
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Formula C23H31N3O7
InChI InChI=1S/C23H31N3O7/c1-22(2,3)32-19(29)14(15-17(27)24(7)21(31)25(8)18(15)28)16(20(30)33-23(4,5)6)26-12-10-9-11-13-26/h9-14,16H,1-8H3
InChIKey ZBJGXJPWUJZFEJ-UHFFFAOYSA-N
Molecular Weight 461.515 g/mol
SMILES [C-]1(C(N(C)C(N(C1=O)C)=O)=O)C(C(OC(C)(C)C)=O)C(C(OC(C)(C)C)=O)[n+]1ccccc1
SPLASH splash10-0a4i-9160000000-385ff29027ebbfec52da
Source of Spectrum AH-133-1334-8
Synonyms 5-[1,4-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxo-3-(1-pyridin-1-iumyl)butan-2-yl]-1,3-dimethyl-2,6-dioxo-4-pyrimidinolate 5-[1,4-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxo-3-pyridin-1-ium-1-ylbutan-2-yl]-1,3-dimethyl-2,6-dioxopyrimidin-4-olate 5-(3-tert-butoxy-1-tert-butoxycarbonyl-3-oxo-2-pyridin-1-ium-1-yl-propyl)-1,3-dimethyl-2,6-dioxo-pyrimidin-4-olate 5-[1,4-bis[(2-methylpropan-2-yl)oxy]-1,4-bis(oxidanylidene)-3-pyridin-1-ium-1-yl-butan-2-yl]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-olate
Wiley ID 1546750