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(5-ETA-C5H5)-TICL2-[N-P-(TERT.-BUTYL)2-(2-CH2-PY)].B(C6F5)3

View entire compound with spectra: 3 NMR

(5-ETA-C5H5)-TICL2-[N-P-(TERT.-BUTYL)2-(2-CH2-PY)].B(C6F5)3
SpectraBase Compound ID 7FnsHFGeErS
InChI InChI=1S/C32H24BF15N2P.C5H.2ClH.Ti/c1-31(2,3)51(49,32(4,5)6)11-12-9-7-8-10-50(12)33(13-16(34)22(40)28(46)23(41)17(13)35,14-18(36)24(42)29(47)25(43)19(14)37)15-20(38)26(44)30(48)27(45)21(15)39;1-2-4-5-3-1;;;/h7-10H,11H2,1-6H3;1H;2*1H;/q-1;;;;+3/p-2
InChIKey LIBNSRZXCUIYLG-UHFFFAOYSA-L
Mol Weight 943.2 g/mol
Molecular Formula C37H25BCl2F15N2PTi
Exact Mass 942.046535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xuG1MRcszs
Name (5-ETA-C5H5)-TICL2-[N-P-(TERT.-BUTYL)2-(2-CH2-PY)].B(C6F5)3
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H25BCl2F15N2PTi
InChI InChI=1S/C32H24BF15N2P.C5H.2ClH.Ti/c1-31(2,3)51(49,32(4,5)6)11-12-9-7-8-10-50(12)33(13-16(34)22(40)28(46)23(41)17(13)35,14-18(36)24(42)29(47)25(43)19(14)37)15-20(38)26(44)30(48)27(45)21(15)39;1-2-4-5-3-1;;;/h7-10H,11H2,1-6H3;1H;2*1H;/q-1;;;;+3/p-2
InChIKey LIBNSRZXCUIYLG-UHFFFAOYSA-L
Literature Reference Author C.BEDDIE,P.WEI,D.W.STEPHAN
Literature Reference Citation CAN.J.CHEM.,84,755(2006)
Literature Reference DOI 10.1139/v06-071
Molecular Weight 943.165 g/mol
Sample ID 46753
Solvent C6D6