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1,3-dimethyl-2,4-dioxo-6-(triphenylphosphoranylideneamino)-5-pyrimidinecarboxylic acid ethyl ester
SpectraBase Compound ID BmTgUy6zEeI
InChI InChI=1S/C27H26N3O4P/c1-4-34-26(32)23-24(29(2)27(33)30(3)25(23)31)28-35(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,4H2,1-3H3
InChIKey USJZVTFUUMIONT-UHFFFAOYSA-N
Mol Weight 487.5 g/mol
Molecular Formula C27H26N3O4P
Exact Mass 487.166093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEyhLBfZKez
Name 1,3-dimethyl-2,4-dioxo-6-(triphenylphosphoranylideneamino)-5-pyrimidinecarboxylic acid ethyl ester
CAS Registry Number 99747-55-4
Comments Less than 3 mono-isotopic peaks
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Formula C27H26N3O4P
InChI InChI=1S/C27H26N3O4P/c1-4-34-26(32)23-24(29(2)27(33)30(3)25(23)31)28-35(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,4H2,1-3H3
InChIKey USJZVTFUUMIONT-UHFFFAOYSA-N
Molecular Weight 487.496 g/mol
SMILES C=1(N(C(=O)N(C(C1C(=O)OCC)=O)C)C)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-0a4i-0000900000-4354c435a6f55bde0281
Source of Spectrum J-51-153-8
Synonyms 2,4-diketo-1,3-dimethyl-6-(triphenylphosphoranylideneamino)pyrimidine-5-carboxylic acid ethyl ester ethyl 1,3-dimethyl-2,4-dioxo-6-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrimidine-5-carboxylate
Wiley ID 1396714