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(-)-{2-[(4'S)-(4'-tert-Butyloxazolin-2'-yl)]-2-methylethyl}-[(R)-[3,3'-bis(4-biphenylyl)binaphthyl-2,2'-diyl]phosphite
SpectraBase Compound ID 1SBwZnMjbBy
InChI InChI=1S/C54H46NO4P/c1-53(2,3)47-34-56-52(55-47)54(4,5)59-60-57-50-45(39-28-24-37(25-29-39)35-16-8-6-9-17-35)32-41-20-12-14-22-43(41)48(50)49-44-23-15-13-21-42(44)33-46(51(49)58-60)40-30-26-38(27-31-40)36-18-10-7-11-19-36/h6-33,47H,34H2,1-5H3/t47-/m1/s1
InChIKey VTCDVULBJKWMNN-QZNUWAOFSA-N
Mol Weight 803.9 g/mol
Molecular Formula C54H46NO4P
Exact Mass 803.316446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48EacyvtGC
Name (-)-{2-[(4'S)-(4'-tert-Butyloxazolin-2'-yl)]-2-methylethyl}-[(R)-[3,3'-bis(4-biphenylyl)binaphthyl-2,2'-diyl]phosphite
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Formula C54H46NO4P
InChI InChI=1S/C54H46NO4P/c1-53(2,3)47-34-56-52(55-47)54(4,5)59-60-57-50-45(39-28-24-37(25-29-39)35-16-8-6-9-17-35)32-41-20-12-14-22-43(41)48(50)49-44-23-15-13-21-42(44)33-46(51(49)58-60)40-30-26-38(27-31-40)36-18-10-7-11-19-36/h6-33,47H,34H2,1-5H3/t47-/m1/s1
InChIKey VTCDVULBJKWMNN-QZNUWAOFSA-N
Molecular Weight 803.939 g/mol
SMILES c12OP(Oc3c(-c2c2ccccc2cc1-c1ccc(-c2ccccc2)cc1)c1c(cc3-c2ccc(cc2)-c2ccccc2)cccc1)OC(C1=N[C@@](C(C)(C)C)(CO1)[H])(C)C
SPLASH splash10-0uy0-2800037090-fda83d3fcb9f38471248
Source of Spectrum F-56-2885-7
Wiley ID 856833