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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 8LiJAl13uz4
InChI InChI=1S/C37H3BF27.4C5H.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*1-2-4-5-3-1;;;;;/h1H3;4*1H;2*1H3;1H2;;/q-1;;;;;;;;;+1
InChIKey CZIKIZCSCMHRLF-UHFFFAOYSA-N
Mol Weight 1442.0 g/mol
Molecular Formula C60H15BF27Zr2
Exact Mass 1438.892964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQg4KC7BUp0
Name CP(2)-ZR-(ME)-(MIU-ME)-(ME)-ZR-CP(2)(+)-(MEPBB)(-)
CAS Registry Number 184686-73-5
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H15BF27Zr2
InChI InChI=1S/C37H3BF27.4C5H.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*1-2-4-5-3-1;;;;;/h1H3;4*1H;2*1H3;1H2;;/q-1;;;;;;;;;+1
InChIKey CZIKIZCSCMHRLF-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
Molecular Weight 1441.986 g/mol
Sample ID 35537
Solvent C6D6