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Diethyl 2-(1,3-dimethylbarbituric acid-5-yl-5-ylid)-3-triphenylphosphoniobutane-1,4-dioate
SpectraBase Compound ID 4GoQLr1RyaE
InChI InChI=1S/C32H33N2O7P/c1-5-40-30(37)25(26-28(35)33(3)32(39)34(4)29(26)36)27(31(38)41-6-2)42(22-16-10-7-11-17-22,23-18-12-8-13-19-23)24-20-14-9-15-21-24/h7-21,25,27H,5-6H2,1-4H3
InChIKey SCAUFOZPDAXEOM-UHFFFAOYSA-N
Mol Weight 588.6 g/mol
Molecular Formula C32H33N2O7P
Exact Mass 588.202538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yiG9vv81gF
Name Diethyl 2-(1,3-dimethylbarbituric acid-5-yl-5-ylid)-3-triphenylphosphoniobutane-1,4-dioate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H33N2O7P
InChI InChI=1S/C32H33N2O7P/c1-5-40-30(37)25(26-28(35)33(3)32(39)34(4)29(26)36)27(31(38)41-6-2)42(22-16-10-7-11-17-22,23-18-12-8-13-19-23)24-20-14-9-15-21-24/h7-21,25,27H,5-6H2,1-4H3
InChIKey SCAUFOZPDAXEOM-UHFFFAOYSA-N
Molecular Weight 588.597 g/mol
SMILES [C-]1(C(N(C)C(N(C1=O)C)=O)=O)C(C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC)C(=O)OCC
SPLASH splash10-01q9-0692000000-e1577ba0729a236520df
Source of Spectrum F-55-5553-2
Synonyms 5-[1,4-diethoxy-1,4-dioxo-3-(triphenylphosphaniumyl)butan-2-yl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ide
Wiley ID 837785