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(1S,1'S)-(-)-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis((4-methoxy-phenyl)(phenyl)phosphine)
SpectraBase Compound ID paEhhQ1jff
InChI InChI=1S/C41H36O3P2/c1-41(2)35-17-11-19-37(45(31-13-7-5-8-14-31)33-25-21-29(42-3)22-26-33)39(35)44-40-36(41)18-12-20-38(40)46(32-15-9-6-10-16-32)34-27-23-30(43-4)24-28-34/h5-28H,1-4H3
InChIKey NTPDILGYMHSAQE-UHFFFAOYSA-N
Mol Weight 638.7 g/mol
Molecular Formula C41H36O3P2
Exact Mass 638.213969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAOtfLacNCi
Name (1S,1'S)-(-)-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis((4-methoxy-phenyl)(phenyl)phosphine)
Appearance White precipitate
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Formula C41H36O3P2
InChI InChI=1S/C41H36O3P2/c1-41(2)35-17-11-19-37(45(31-13-7-5-8-14-31)33-25-21-29(42-3)22-26-33)39(35)44-40-36(41)18-12-20-38(40)46(32-15-9-6-10-16-32)34-27-23-30(43-4)24-28-34/h5-28H,1-4H3
InChIKey NTPDILGYMHSAQE-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 638.684 g/mol
Optical Rotation [a]D23 = -47.7 (c = 1.0, CHCl3)
Reported Formula C41H36O3P2
SMILES c1cc2c(c(c1)[P@](c1ccc(cc1)OC)c1ccccc1)Oc1c(C2(C)C)cccc1[P@](c1ccccc1)c1ccc(cc1)OC
SPLASH splash10-00ri-0002009000-7d177326ffb281ba279d
Source of Spectrum EP3452488A1
Wiley ID 1877041