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Dimethyl 2-(1,3-dimethylbarbituric acid-5-yl-5-ylid)-3-triphenylphosphoniobutane-1,4-dioate
SpectraBase Compound ID 7zVhGIaqgQm
InChI InChI=1S/C30H29N2O7P/c1-31-26(33)24(27(34)32(2)30(31)37)23(28(35)38-3)25(29(36)39-4)40(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23,25H,1-4H3
InChIKey DXLQTZDGSLPOCQ-UHFFFAOYSA-N
Mol Weight 560.54 g/mol
Molecular Formula C30H29N2O7P
Exact Mass 560.171238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qzkA45rvRB
Name Dimethyl 2-(1,3-dimethylbarbituric acid-5-yl-5-ylid)-3-triphenylphosphoniobutane-1,4-dioate
Alternate Name(s) 5-[1,4-dimethoxy-1,4-dioxo-3-(triphenylphosphaniumyl)butan-2-yl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H29N2O7P
InChI InChI=1S/C30H29N2O7P/c1-31-26(33)24(27(34)32(2)30(31)37)23(28(35)38-3)25(29(36)39-4)40(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23,25H,1-4H3
InChIKey DXLQTZDGSLPOCQ-UHFFFAOYSA-N
Molecular Weight 560.543 g/mol
SMILES [C-]1(C(N(C)C(N(C1=O)C)=O)=O)C(C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-0ue9-9527000000-99572e37cf85da928e56
Source of Spectrum F-55-5553-2
Wiley ID 837786