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(1S,1'S)-(-)-(2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis((9-phenanthryl)(phenyl)phosphine)
SpectraBase Compound ID GA0dkCpZcrd
InChI InChI=1S/C63H56OP2/c1-61(2,3)43-37-53-59(57(39-43)65(45-25-11-9-12-26-45)55-35-41-23-15-17-29-47(41)49-31-19-21-33-51(49)55)64-60-54(63(53,7)8)38-44(62(4,5)6)40-58(60)66(46-27-13-10-14-28-46)56-36-42-24-16-18-30-48(42)50-32-20-22-34-52(50)56/h9-40H,1-8H3
InChIKey DLGBUNFFTPAQJW-UHFFFAOYSA-N
Mol Weight 891.1 g/mol
Molecular Formula C63H56OP2
Exact Mass 890.38064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hokVmZnnI7
Name (1S,1'S)-(-)-(2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis((9-phenanthryl)(phenyl)phosphine)
Appearance White precipitate
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Formula C63H56OP2
InChI InChI=1S/C63H56OP2/c1-61(2,3)43-37-53-59(57(39-43)65(45-25-11-9-12-26-45)55-35-41-23-15-17-29-47(41)49-31-19-21-33-51(49)55)64-60-54(63(53,7)8)38-44(62(4,5)6)40-58(60)66(46-27-13-10-14-28-46)56-36-42-24-16-18-30-48(42)50-32-20-22-34-52(50)56/h9-40H,1-8H3
InChIKey DLGBUNFFTPAQJW-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 891.088 g/mol
Optical Rotation [a]D21 = -22.3 (c = 1.0, CHCl3)
Reported Formula C63H56OP2
SMILES c1(cc2c(c(c1)[P@](c1c3c(c4c(c1)cccc4)cccc3)c1ccccc1)Oc1c(C2(C)C)cc(cc1[P@](c1ccccc1)c1c2c(c3c(c1)cccc3)cccc2)C(C)(C)C)C(C)(C)C
SPLASH splash10-002f-0200200090-0d18edff60bb62ee7510
Source of Spectrum EP3452488A1
Wiley ID 1877061