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CP''(2)-ZR-(ME)-(MIU-ME)-(ME)-ZR-CP''(2)(+)-(MEPBB)(-)

View entire compound with spectra: 2 NMR

CP''(2)-ZR-(ME)-(MIU-ME)-(ME)-ZR-CP''(2)(+)-(MEPBB)(-)
SpectraBase Compound ID Dmr2YUuInkz
InChI InChI=1S/C37H3BF27.2C7H8.2C7H7.2CH3.CH2.2Zr/c1-38(8-2(11(39)23(51)32(60)20(8)48)5-14(42)26(54)35(63)27(55)15(5)43,9-3(12(40)24(52)33(61)21(9)49)6-16(44)28(56)36(64)29(57)17(6)45)10-4(13(41)25(53)34(62)22(10)50)7-18(46)30(58)37(65)31(59)19(7)47;4*1-6-4-3-5-7(6)2;;;;;/h1H3;2*3-4H,1-2H3;2*3H,1-2H3;2*1H3;1H2;;/q-1;;;;;;;;;+1
InChIKey XVTRYNRLMHHARF-UHFFFAOYSA-N
Mol Weight 1564.3 g/mol
Molecular Formula C68H41BF27Zr2
Exact Mass 1561.096414 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfYMcf7IWL2
Name CP''(2)-ZR-(ME)-(MIU-ME)-(ME)-ZR-CP''(2)(+)-(MEPBB)(-)
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H41BF27Zr2
InChI InChI=1S/C37H3BF27.2C7H8.2C7H7.2CH3.CH2.2Zr/c1-38(8-2(11(39)23(51)32(60)20(8)48)5-14(42)26(54)35(63)27(55)15(5)43,9-3(12(40)24(52)33(61)21(9)49)6-16(44)28(56)36(64)29(57)17(6)45)10-4(13(41)25(53)34(62)22(10)50)7-18(46)30(58)37(65)31(59)19(7)47;4*1-6-4-3-5-7(6)2;;;;;/h1H3;2*3-4H,1-2H3;2*3H,1-2H3;2*1H3;1H2;;/q-1;;;;;;;;;+1
InChIKey XVTRYNRLMHHARF-UHFFFAOYSA-N
Literature Reference Author Y.X.CHEN,C.L.STERN,S.YANG,T.J.MARKS
Literature Reference Citation J.AM.CHEM.SOC.,118,12451(1996)
Literature Reference DOI 10.1021/ja962315d
Solvent C6D6
Source File Reference UWSI35538