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

View entire compound with spectra: 2 NMR

CP'-ZR-(ME)(2)(+)-(MEPBB)(-)
SpectraBase Compound ID I6vouY8npH
InChI InChI=1S/C37H3BF27.C10H15.2CH3.Zr/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;1-6-7(2)9(4)10(5)8(6)3;;;/h1H3;1-5H3;2*1H3;/q-1;;;;+1
InChIKey RVEPSIKIYQYMSB-UHFFFAOYSA-N
Mol Weight 1227.72 g/mol
Molecular Formula C49H24BF27Zr
Exact Mass 1226.05869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sriTEVZKVs
Name CP'-ZR-(ME)(2)(+)-(MEPBB)(-)
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H24BF27Zr
InChI InChI=1S/C37H3BF27.C10H15.2CH3.Zr/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;1-6-7(2)9(4)10(5)8(6)3;;;/h1H3;1-5H3;2*1H3;/q-1;;;;+1
InChIKey RVEPSIKIYQYMSB-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 1227.716 g/mol
Sample ID 35540
Solvent TOLUENE-D8