[RU-((R)-BINAP)-(MECN)-(OC(H)(CO2CH3))-(C(CH3)(2)(CO2CH3))]-(BF4);MAJOR-ISOMER

SpectraBase Compound ID	FaqDTit6ICE
InChI	InChI=1S/C44H32P2.C8H13O5.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;1-8(2,7(11)13-4)5(9)6(10)12-3;1-2-3;2-1(3,4)5;/h1-32H;5H,1-4H3;1H3;;/q;-1;;-1;/p+2/t;5-;;;/m.0.../s1
InChIKey	HOUFTIAOXCNSPX-HSQVSSIKSA-P Google Search
Mol Weight	1042.8 g/mol
Molecular Formula	C54H50BF4NO5P2Ru
Exact Mass	1043.223681 g/mol

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SpectraBase Spectrum ID	53EsayII50f
Name	[RU-((R)-BINAP)-(MECN)-(OC(H)(CO2CH3))-(C(CH3)(2)(CO2CH3))]-(BF4);MAJOR-ISOMER
Compound Number	5
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C54H48BF4NO5P2Ru
InChI	InChI=1S/C44H32P2.C8H13O5.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;1-8(2,7(11)13-4)5(9)6(10)12-3;1-2-3;2-1(3,4)5;/h1-32H;5H,1-4H3;1H3;;/q;-1;;-1;/p+2/t;5-;;;/m.0.../s1
InChIKey	HOUFTIAOXCNSPX-HSQVSSIKSA-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	ACETONE-D6
Source File Reference	UWSI33629