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[(BINAP)CU(NCME)]-[PF6]

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[(BINAP)CU(NCME)]-[PF6]
SpectraBase Compound ID FhK5LBsR55S
InChI InChI=1S/C44H32P2.C2H3N.Cu.F6P/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-2-3;;1-7(2,3,4,5)6/h1-32H;1H3;;/q;;2*-1/p+2
InChIKey LZPNCIFXZOPUMU-UHFFFAOYSA-P
Mol Weight 874.3 g/mol
Molecular Formula C46H37CuF6NP3
Exact Mass 873.133902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 149Wpc8YSig
Name [(BINAP)CU(NCME)]-[PF6]
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H35CuF6NP3
InChI InChI=1S/C44H32P2.C2H3N.Cu.F6P/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-2-3;;1-7(2,3,4,5)6/h1-32H;1H3;;/q;;2*-1/p+2
InChIKey LZPNCIFXZOPUMU-UHFFFAOYSA-P
Literature Reference Author E.D.BLUE,A.DAVIS,D.CONNER,T.B.GUNNOE,P.D.BYLE,P.S.WHITE
Literature Reference Citation J.AM.CHEM.SOC.,125,9435(2003)
Literature Reference DOI 10.1021/ja0353659
Molecular Weight 872.248 g/mol
Sample ID 41942
Solvent CD2Cl2