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1,9-Dimethyl-4,6-bis((triphenyl-.lambda.5-phosphanylidene)amino)-5,9-dihydro-4H-pyrano[2,3-d:6,5-d']dipyrimidine-2,8(1H)dione
SpectraBase Compound ID Gm4bsvMeQzu
InChI InChI=1S/C47H38N6O3P2/c1-52-44-40(42(48-46(52)54)50-57(34-21-9-3-10-22-34,35-23-11-4-12-24-35)36-25-13-5-14-26-36)33-41-43(49-47(55)53(2)45(41)56-44)51-58(37-27-15-6-16-28-37,38-29-17-7-18-30-38)39-31-19-8-20-32-39/h3-32H,33H2,1-2H3
InChIKey VPSUFFGGTPITRL-UHFFFAOYSA-N
Mol Weight 796.8 g/mol
Molecular Formula C47H38N6O3P2
Exact Mass 796.248063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZxKPj6cZt2
Name 1,9-Dimethyl-4,6-bis((triphenyl-.lambda.5-phosphanylidene)amino)-5,9-dihydro-4H-pyrano[2,3-d:6,5-d']dipyrimidine-2,8(1H)dione
Appearance Colourless solid
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Formula C47H38N6O3P2
InChI InChI=1S/C47H38N6O3P2/c1-52-44-40(42(48-46(52)54)50-57(34-21-9-3-10-22-34,35-23-11-4-12-24-35)36-25-13-5-14-26-36)33-41-43(49-47(55)53(2)45(41)56-44)51-58(37-27-15-6-16-28-37,38-29-17-7-18-30-38)39-31-19-8-20-32-39/h3-32H,33H2,1-2H3
InChIKey VPSUFFGGTPITRL-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 796.808 g/mol
Reported Formula C47H38N6O3P2
SMILES C1(N=C(C2=C(N1C)OC1=C(C2)C(=NC(N1C)=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O
SPLASH splash10-0059-9770000000-779a5f53e95d7ee0dc32
Source of Spectrum AJC-12-SM98-4a
Wiley ID 1857365