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(-)-{1-[(4'S)-(4'-tert-butyloxazolin-2'-yl)]-1-methylethyl}-{(S)-[3,3'-bis(2,4,6-trimethylphenyl)]binaphthyl-2,2'-diyl}phosphite

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(-)-{1-[(4'S)-(4'-tert-butyloxazolin-2'-yl)]-1-methylethyl}-{(S)-[3,3'-bis(2,4,6-trimethylphenyl)]binaphthyl-2,2'-diyl}phosphite
SpectraBase Compound ID AdxX3Q1YmJY
InChI InChI=1S/C48H50NO4P/c1-27-20-29(3)40(30(4)21-27)37-24-33-16-12-14-18-35(33)42-43-36-19-15-13-17-34(36)25-38(41-31(5)22-28(2)23-32(41)6)45(43)52-54(51-44(37)42)53-48(10,11)46-49-39(26-50-46)47(7,8)9/h12-25,39H,26H2,1-11H3/t39-/m1/s1
InChIKey YIENTYXOPBRRDU-LDLOPFEMSA-N
Mol Weight 735.9 g/mol
Molecular Formula C48H50NO4P
Exact Mass 735.347746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6sPRJ4uWGOj
Name (-)-{1-[(4'S)-(4'-tert-butyloxazolin-2'-yl)]-1-methylethyl}-{(S)-[3,3'-bis(2,4,6-trimethylphenyl)]binaphthyl-2,2'-diyl}phosphite
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 735.347746088 u
Formula C48H50NO4P
InChI InChI=1S/C48H50NO4P/c1-27-20-29(3)40(30(4)21-27)37-24-33-16-12-14-18-35(33)42-43-36-19-15-13-17-34(36)25-38(41-31(5)22-28(2)23-32(41)6)45(43)52-54(51-44(37)42)53-48(10,11)46-49-39(26-50-46)47(7,8)9/h12-25,39H,26H2,1-11H3/t39-/m1/s1
InChIKey YIENTYXOPBRRDU-LDLOPFEMSA-N
Molecular Weight 735.905 g/mol
SMILES C1=2OP(OC=3C(C2C=2C=CC=CC2C=C1C1=C(C=C(C=C1C)C)C)=C1C=CC=CC1=CC3C1=C(C=C(C=C1C)C)C)OC(C1=N[C@@](C(C)(C)C)(CO1)[H])(C)C