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(-)-{1-[(4'S)-(4'-tert-butyloxazolin-2'-yl)]-1-methylethyl}-{(R)-[3,3'-bis(3,5-di-tert-butylphenyl)]binaphthyl-2,2'-diyl}phosphite
SpectraBase Compound ID EYc5EPyuSGJ
InChI InChI=1S/C58H70NO4P/c1-53(2,3)39-26-37(27-40(32-39)54(4,5)6)45-30-35-22-18-20-24-43(35)48-49-44-25-21-19-23-36(44)31-46(38-28-41(55(7,8)9)33-42(29-38)56(10,11)12)51(49)62-64(61-50(45)48)63-58(16,17)52-59-47(34-60-52)57(13,14)15/h18-33,47H,34H2,1-17H3/t47-/m1/s1
InChIKey RHILJBPQKAPRCU-QZNUWAOFSA-N
Mol Weight 876.2 g/mol
Molecular Formula C58H70NO4P
Exact Mass 875.504247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJQOlY5B1HI
Name (-)-{1-[(4'S)-(4'-tert-butyloxazolin-2'-yl)]-1-methylethyl}-{(R)-[3,3'-bis(3,5-di-tert-butylphenyl)]binaphthyl-2,2'-diyl}phosphite
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 875.504246732 u
Formula C58H70NO4P
InChI InChI=1S/C58H70NO4P/c1-53(2,3)39-26-37(27-40(32-39)54(4,5)6)45-30-35-22-18-20-24-43(35)48-49-44-25-21-19-23-36(44)31-46(38-28-41(55(7,8)9)33-42(29-38)56(10,11)12)51(49)62-64(61-50(45)48)63-58(16,17)52-59-47(34-60-52)57(13,14)15/h18-33,47H,34H2,1-17H3/t47-/m1/s1
InChIKey RHILJBPQKAPRCU-QZNUWAOFSA-N
Molecular Weight 876.175 g/mol
SMILES C1=2OP(OC=3C(C2C=2C=CC=CC2C=C1C1=CC(C(C)(C)C)=CC(=C1)C(C)(C)C)=C1C=CC=CC1=CC3C1=CC(C(C)(C)C)=CC(=C1)C(C)(C)C)OC(C1=N[C@@](C(C)(C)C)(CO1)[H])(C)C