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[RU-((R)-BINAP)-(MECN)-(OC(H)(CO(2)C(CH3)(3)))-(C(CH3)(2)(CO2C(CH3)(3)))]-(BF4)
SpectraBase Compound ID 81QCYkaQCDI
InChI InChI=1S/C44H32P2.C14H25O5.C2H3N.BF4.Ru/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;1-12(2,3)18-10(16)9(15)14(7,8)11(17)19-13(4,5)6;1-2-3;2-1(3,4)5;/h1-32H;9H,1-8H3;1H3;;/q;-1;;-1;/p+2/t;9-;;;/m.0.../s1
InChIKey RSTXLVBBRSZIGN-WUAHWFRISA-P
Mol Weight 1127.0 g/mol
Molecular Formula C60H62BF4NO5P2Ru
Exact Mass 1127.317581 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kRXhyXNuH2
Name [RU-((R)-BINAP)-(MECN)-(OC(H)(CO(2)C(CH3)(3)))-(C(CH3)(2)(CO2C(CH3)(3)))]-(BF4)
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H60BF4NO5P2Ru
InChI InChI=1S/C44H32P2.C14H25O5.C2H3N.BF4.Ru/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;1-12(2,3)18-10(16)9(15)14(7,8)11(17)19-13(4,5)6;1-2-3;2-1(3,4)5;/h1-32H;9H,1-8H3;1H3;;/q;-1;;-1;/p+2/t;9-;;;/m.0.../s1
InChIKey RSTXLVBBRSZIGN-WUAHWFRISA-P
Literature Reference Author C.J.A.DALEY,S.H.BERGENS
Literature Reference Citation J.AM.CHEM.SOC.,124,3680(2002)
Literature Reference DOI 10.1021/ja0102991
Solvent THF-D8
Source File Reference UWSI33631