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DIETHYL-3,4-DIOXO-2,5-BIS-(TRIPHENYL-PHOSPHORANYLIDENE)-HEXANE-1,6-DIOATE
SpectraBase Compound ID Krk5KSciWCa
InChI InChI=1S/C46H40O6P2/c1-3-51-45(49)43(53(35-23-11-5-12-24-35,36-25-13-6-14-26-36)37-27-15-7-16-28-37)41(47)42(48)44(46(50)52-4-2)54(38-29-17-8-18-30-38,39-31-19-9-20-32-39)40-33-21-10-22-34-40/h5-34H,3-4H2,1-2H3
InChIKey WVJYTYCBVPJAPM-UHFFFAOYSA-N
Mol Weight 750.8 g/mol
Molecular Formula C46H40O6P2
Exact Mass 750.230013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uNu8YC036
Name 3,4-Diketo-2,5-bis(triphenylphosphoranylidene)adipic acid diethyl ester
Alternate Name(s) 3,4-Dioxo-2,5-bis(triphenylphosphoranylidene)hexanedioic acid diethyl ester Diethyl 3,4-dioxo-2,5-bis(triphenyl-$l^{5}-phosphanylidene)hexanedioate
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Formula C46H40O6P2
InChI InChI=1S/C46H40O6P2/c1-3-51-45(49)43(53(35-23-11-5-12-24-35,36-25-13-6-14-26-36)37-27-15-7-16-28-37)41(47)42(48)44(46(50)52-4-2)54(38-29-17-8-18-30-38,39-31-19-9-20-32-39)40-33-21-10-22-34-40/h5-34H,3-4H2,1-2H3
InChIKey WVJYTYCBVPJAPM-UHFFFAOYSA-N
Molecular Weight 750.768 g/mol
SMILES C(C(C(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC)=O)=O)(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC
SPLASH splash10-004i-0194000000-28bb564f32585fd5bf68
Source of Spectrum KC-0-489-6
Wiley ID 785177