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Ethyl 2-(N,N'-dimeythylbarbituric acid-5-yl-5-ylid)-3-triphenylphosphoniopropionate
SpectraBase Compound ID JiTGruII80M
InChI InChI=1S/C29H29N2O5P/c1-4-36-28(34)24(25-26(32)30(2)29(35)31(3)27(25)33)20-37(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24H,4,20H2,1-3H3
InChIKey JTHWZHMSOARHAO-UHFFFAOYSA-N
Mol Weight 516.53 g/mol
Molecular Formula C29H29N2O5P
Exact Mass 516.181409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuGMRQ9T7wz
Name Ethyl 2-(N,N'-dimeythylbarbituric acid-5-yl-5-ylid)-3-triphenylphosphoniopropionate
Alternate Name(s) 5-(1-Ethoxy-1-oxo-3-triphenylphosphiniumylpropan-2-yl)-1,3-dimethyl-2,6-dioxo-4-pyrimidinolate 5-(1-Ethoxy-1-oxo-3-triphenylphosphaniumylpropan-2-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate 5-[2-ethoxy-2-oxo-1-(triphenylphosphaniumylmethyl)ethyl]-1,3-dimethyl-2,6-dioxo-pyrimidin-4-olate 5-(1-Ethoxy-1-oxidanylidene-3-triphenylphosphaniumyl-propan-2-yl)-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-olate
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Formula C29H29N2O5P
InChI InChI=1S/C29H29N2O5P/c1-4-36-28(34)24(25-26(32)30(2)29(35)31(3)27(25)33)20-37(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24H,4,20H2,1-3H3
InChIKey JTHWZHMSOARHAO-UHFFFAOYSA-N
Molecular Weight 516.534 g/mol
SMILES [C-]1(C(N(C(=O)N(C1=O)C)C)=O)C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC
SPLASH splash10-0gx0-0930010000-0b26ad2f8b972e3a46a9
Source of Spectrum AT-39-4580-1
Wiley ID 854195