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MJMSXBKIJCLQFU-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

MJMSXBKIJCLQFU-UHFFFAOYSA-N
SpectraBase Compound ID DG05541YtQZ
InChI InChI=1S/C24BF20.2C10H15.C6H5Cl.C2H2N.Zr/c26-5-1(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;2*1-6-7(2)9(4)10(5)8(6)3;7-6-4-2-1-3-5-6;1-2-3;/h;2*1-5H3;1-4,7H;1H2;/q-1;;;+1;;
InChIKey MJMSXBKIJCLQFU-UHFFFAOYSA-N
Mol Weight 1192.3 g/mol
Molecular Formula C52H36BClF20NZr
Exact Mass 1190.135695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xMe7poetxO
Name MJMSXBKIJCLQFU-UHFFFAOYSA-N
Compound Number 5-CH3CN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H36BClF20NZr
InChI InChI=1S/C24BF20.2C10H15.C6H5Cl.C2H2N.Zr/c26-5-1(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;2*1-6-7(2)9(4)10(5)8(6)3;7-6-4-2-1-3-5-6;1-2-3;/h;2*1-5H3;1-4,7H;1H2;/q-1;;;+1;;
InChIKey MJMSXBKIJCLQFU-UHFFFAOYSA-N
Literature Reference Author F.WU,A.K.DASH,R.F.JORDAN
Literature Reference Citation J.AM.CHEM.SOC.,126,15360(2004)
Literature Reference DOI 10.1021/ja044303v
Molecular Weight 1192.316 g/mol
Solvent C6D5Cl
Source File Reference UWLU34935