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(1S,1'S)-(-)-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis((4-ethoxy-phenyl)(phenyl)(phosphine)
SpectraBase Compound ID B1aUkkE05EK
InChI InChI=1S/C43H40O3P2/c1-5-44-31-23-27-35(28-24-31)47(33-15-9-7-10-16-33)39-21-13-19-37-41(39)46-42-38(43(37,3)4)20-14-22-40(42)48(34-17-11-8-12-18-34)36-29-25-32(26-30-36)45-6-2/h7-30H,5-6H2,1-4H3
InChIKey NUQKAFFHRDEZHV-UHFFFAOYSA-N
Mol Weight 666.7 g/mol
Molecular Formula C43H40O3P2
Exact Mass 666.245269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6cSkDQRcxo
Name (1S,1'S)-(-)-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis((4-ethoxy-phenyl)(phenyl)(phosphine)
Appearance White solid
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Formula C43H40O3P2
InChI InChI=1S/C43H40O3P2/c1-5-44-31-23-27-35(28-24-31)47(33-15-9-7-10-16-33)39-21-13-19-37-41(39)46-42-38(43(37,3)4)20-14-22-40(42)48(34-17-11-8-12-18-34)36-29-25-32(26-30-36)45-6-2/h7-30H,5-6H2,1-4H3
InChIKey NUQKAFFHRDEZHV-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 666.738 g/mol
Optical Rotation [a]D22 = -46.5 (c = 1.0, CHCl3)
Reported Formula C43H40O3P2
SMILES c1cc2c(c(c1)[P@](c1ccc(cc1)OCC)c1ccccc1)Oc1c(C2(C)C)cccc1[P@](c1ccccc1)c1ccc(cc1)OCC
SPLASH splash10-014i-0000029000-e3421d1d4e3ff8cf392e
Source of Spectrum EP3452488A1
Wiley ID 1877054