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2,2'-bis{[3,5-bis(Trifluoromethyl)phenyl]-phosphinomethyl}-1,1'-biphenyl
SpectraBase Compound ID KAJRv5z5196
InChI InChI=1S/C46H24F24P2/c47-39(48,49)25-9-26(40(50,51)52)14-33(13-25)71(34-15-27(41(53,54)55)10-28(16-34)42(56,57)58)21-23-5-1-3-7-37(23)38-8-4-2-6-24(38)22-72(35-17-29(43(59,60)61)11-30(18-35)44(62,63)64)36-19-31(45(65,66)67)12-32(20-36)46(68,69)70/h1-20H,21-22H2
InChIKey CHKXKRMCMUJPBS-UHFFFAOYSA-N
Mol Weight 1094.6 g/mol
Molecular Formula C46H24F24P2
Exact Mass 1094.097001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9Zj23IsDFx
Name 2,2'-bis{[3,5-bis(Trifluoromethyl)phenyl]-phosphinomethyl}-1,1'-biphenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1094.097000681 u
Formula C46H24F24P2
InChI InChI=1S/C46H24F24P2/c47-39(48,49)25-9-26(40(50,51)52)14-33(13-25)71(34-15-27(41(53,54)55)10-28(16-34)42(56,57)58)21-23-5-1-3-7-37(23)38-8-4-2-6-24(38)22-72(35-17-29(43(59,60)61)11-30(18-35)44(62,63)64)36-19-31(45(65,66)67)12-32(20-36)46(68,69)70/h1-20H,21-22H2
InChIKey CHKXKRMCMUJPBS-UHFFFAOYSA-N
Molecular Weight 1094.607 g/mol
SMILES C=1(P(C=2C=C(C(F)(F)F)C=C(C(F)(F)F)C2)CC=2C(C=3C(CP(C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C=4C=C(C(F)(F)F)C=C(C(F)(F)F)C4)=CC=CC3)=CC=CC2)C=C(C(F)(F)F)C=C(C(F)(F)F)C1