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(1S,1'S)-(-)-(2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis((3,5-dimethoxy-phenyl)(phenyl)phosphine)
SpectraBase Compound ID Byqtb3adTsq
InChI InChI=1S/C51H56O5P2/c1-49(2,3)33-23-43-47(45(25-33)57(39-19-15-13-16-20-39)41-29-35(52-9)27-36(30-41)53-10)56-48-44(51(43,7)8)24-34(50(4,5)6)26-46(48)58(40-21-17-14-18-22-40)42-31-37(54-11)28-38(32-42)55-12/h13-32H,1-12H3
InChIKey ZIJIAJCMEUGRGN-UHFFFAOYSA-N
Mol Weight 811.0 g/mol
Molecular Formula C51H56O5P2
Exact Mass 810.360299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHGAQ0dkIs8
Name (1S,1'S)-(-)-(2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis((3,5-dimethoxy-phenyl)(phenyl)phosphine)
Appearance White solid
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Formula C51H56O5P2
InChI InChI=1S/C51H56O5P2/c1-49(2,3)33-23-43-47(45(25-33)57(39-19-15-13-16-20-39)41-29-35(52-9)27-36(30-41)53-10)56-48-44(51(43,7)8)24-34(50(4,5)6)26-46(48)58(40-21-17-14-18-22-40)42-31-37(54-11)28-38(32-42)55-12/h13-32H,1-12H3
InChIKey ZIJIAJCMEUGRGN-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 810.952 g/mol
Optical Rotation [a]D21 = -5.7 (c = 1.0, CHCl3)
Reported Formula C51H56O5P2
SMILES c1(cc2c(c(c1)[P@](c1cc(cc(c1)OC)OC)c1ccccc1)Oc1c(C2(C)C)cc(cc1[P@](c1ccccc1)c1cc(cc(c1)OC)OC)C(C)(C)C)C(C)(C)C
SPLASH splash10-03di-0000000590-8ca3a2d0e2e58d35246d
Source of Spectrum EP3452488A1
Wiley ID 1877062