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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86uOQRL7i1b
Name 2,2'-bis{[3,5-bis(Trifluoromethyl)phenyl]-phosphinomethyl}-1,1'-biphenyl
Alternate Name(s) Bisbi-(3,5-cf3)
Comments Less than 3 mono-isotopic peaks
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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 c1(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2c(-c3c(CP(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cccc3)cccc2)cc(C(F)(F)F)cc(C(F)(F)F)c1
SPLASH splash10-004i-9000000000-a9f8cfd44061515c7236
Source of Spectrum C-119-11824-1
Wiley ID 1699505