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(1S,1'S)-(-)-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis((9-phenanthryl)(phenyl)phosphine)
SpectraBase Compound ID BVqBDi48fDI
InChI InChI=1S/C55H40OP2/c1-55(2)47-31-17-33-49(57(39-21-5-3-6-22-39)51-35-37-19-9-11-25-41(37)43-27-13-15-29-45(43)51)53(47)56-54-48(55)32-18-34-50(54)58(40-23-7-4-8-24-40)52-36-38-20-10-12-26-42(38)44-28-14-16-30-46(44)52/h3-36H,1-2H3
InChIKey ZDZUDPLKXGWDRQ-UHFFFAOYSA-N
Mol Weight 778.9 g/mol
Molecular Formula C55H40OP2
Exact Mass 778.25544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IK9KjSQwdQs
Name (1S,1'S)-(-)-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis((9-phenanthryl)(phenyl)phosphine)
Appearance White precipitate
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Formula C55H40OP2
InChI InChI=1S/C55H40OP2/c1-55(2)47-31-17-33-49(57(39-21-5-3-6-22-39)51-35-37-19-9-11-25-41(37)43-27-13-15-29-45(43)51)53(47)56-54-48(55)32-18-34-50(54)58(40-23-7-4-8-24-40)52-36-38-20-10-12-26-42(38)44-28-14-16-30-46(44)52/h3-36H,1-2H3
InChIKey ZDZUDPLKXGWDRQ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 778.872 g/mol
Optical Rotation [a]D23 = -89.2 (c = 1.0, CHCl3)
Reported Formula C55H41OP2
SMILES c1cc2c(c(c1)[P@](c1c3c(c4c(c1)cccc4)cccc3)c1ccccc1)Oc1c(C2(C)C)cccc1[P@](c1ccccc1)c1cc2c(c3c1cccc3)cccc2
SPLASH splash10-0fb9-0200700900-85b799a6bd6c963908c4
Source of Spectrum EP3452488A1
Wiley ID 1877044