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[[ARNC(CH3)CHC(CH3)NAR]SC-(CH3)(C9H12)]-[B(C6F5)4]
SpectraBase Compound ID Fi5AXOrsrWo
InChI InChI=1S/C29H40N2.C24BF20.C9H9.CH3.Sc/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-7-4-8(2)6-9(3)5-7;;/h11-16,18-21H,1-10H3;;1-3H3;1H3;/q2*-1;;;+2
InChIKey BOIGJNKMLXVEFG-UHFFFAOYSA-N
Mol Weight 1272.9 g/mol
Molecular Formula C63H52BF20N2Sc
Exact Mass 1272.346326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5fjvCp5Fgc0
Name [[ARNC(CH3)CHC(CH3)NAR]SC-(CH3)(C9H12)]-[B(C6F5)4]
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H52BF20N2Sc
InChI InChI=1S/C29H40N2.C24BF20.C9H9.CH3.Sc/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-7-4-8(2)6-9(3)5-7;;/h11-16,18-21H,1-10H3;;1-3H3;1H3;/q2*-1;;;+2
InChIKey BOIGJNKMLXVEFG-UHFFFAOYSA-N
Literature Reference Author P.G.HAYES,W.E.PIERS,M.PARVEZ
Literature Reference Citation J.AM.CHEM.SOC.,125,5622(2003)
Literature Reference DOI 10.1021/ja034680s
Molecular Weight 1272.853 g/mol
Sample ID 41014
Solvent C6D5Br