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NDTOWJLCMSKQQR-GCZWLZHNSA-M

View entire compound with spectra: 1 NMR

NDTOWJLCMSKQQR-GCZWLZHNSA-M
SpectraBase Compound ID KhPE2x65ICz
InChI InChI=1S/C24BF20.2C10H15.C6H6Cl.ClH.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;;/h;2*1-5H3;1-5,7H;1H;/q-1;;;+1;;+1/p-1/i;;;1D,2D,3D,4D,5D;;
InChIKey NDTOWJLCMSKQQR-GCZWLZHNSA-M
Mol Weight 1193.8 g/mol
Molecular Formula C50H302H5BCl2F20Zr
Exact Mass 1191.125032 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6oaLGAbBKEi
Name NDTOWJLCMSKQQR-GCZWLZHNSA-M
Compound Number 7-D5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H302H5BCl2F20Zr
InChI InChI=1S/C24BF20.2C10H15.C6H6Cl.ClH.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;;/h;2*1-5H3;1-5,7H;1H;/q-1;;;+1;;+1/p-1/i;;;1D,2D,3D,4D,5D;;
InChIKey NDTOWJLCMSKQQR-GCZWLZHNSA-M
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 1193.763 g/mol
Solvent C6D5Cl
Source File Reference UWLU34937