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(1S,1'S)-(-)-(2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis((dibenzo[b,d]furan-4-yl)(phenyl)phosphine)
SpectraBase Compound ID 2y8rybHP0Lk
InChI InChI=1S/C59H52O3P2/c1-57(2,3)37-33-45-55(51(35-37)63(39-21-11-9-12-22-39)49-31-19-27-43-41-25-15-17-29-47(41)60-53(43)49)62-56-46(59(45,7)8)34-38(58(4,5)6)36-52(56)64(40-23-13-10-14-24-40)50-32-20-28-44-42-26-16-18-30-48(42)61-54(44)50/h9-36H,1-8H3
InChIKey ZGTNBRLMQJDBDR-UHFFFAOYSA-N
Mol Weight 871.0 g/mol
Molecular Formula C59H52O3P2
Exact Mass 870.33917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3w7mQEshV3
Name (1S,1'S)-(-)-(2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis((dibenzo[b,d]furan-4-yl)(phenyl)phosphine)
Appearance White solid
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Formula C59H52O3P2
InChI InChI=1S/C59H52O3P2/c1-57(2,3)37-33-45-55(51(35-37)63(39-21-11-9-12-22-39)49-31-19-27-43-41-25-15-17-29-47(41)60-53(43)49)62-56-46(59(45,7)8)34-38(58(4,5)6)36-52(56)64(40-23-13-10-14-24-40)50-32-20-28-44-42-26-16-18-30-48(42)61-54(44)50/h9-36H,1-8H3
InChIKey ZGTNBRLMQJDBDR-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 871.010 g/mol
Optical Rotation [a]D22 = -55.5 (c = 1.0, CHCl3)
Reported Formula C59H52O3P2
SMILES c1(cc2c(c(c1)[P@](c1cccc3c1oc1c3cccc1)c1ccccc1)Oc1c(C2(C)C)cc(cc1[P@](c1ccccc1)c1cccc2c1oc1c2cccc1)C(C)(C)C)C(C)(C)C
SPLASH splash10-00di-0100010090-4dc67acd34c9aa5c2c4f
Source of Spectrum EP3452488A1
Wiley ID 1877067