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

View entire compound with spectra: 3 NMR

(5-ETA-C5H5)-TICL2-[N-P-(ISO-PROPYL)2-(2-CH2-PY)].B(C6F5)3
SpectraBase Compound ID IcNwHFlKS0h
InChI InChI=1S/C30H20BF15N2P.C5H.2ClH.Ti/c1-10(2)49(47,11(3)4)9-12-7-5-6-8-48(12)31(13-16(32)22(38)28(44)23(39)17(13)33,14-18(34)24(40)29(45)25(41)19(14)35)15-20(36)26(42)30(46)27(43)21(15)37;1-2-4-5-3-1;;;/h5-8,10-11H,9H2,1-4H3;1H;2*1H;/q-1;;;;+3/p-2
InChIKey HTKLLESSSGGDSQ-UHFFFAOYSA-L
Mol Weight 915.1 g/mol
Molecular Formula C35H21BCl2F15N2PTi
Exact Mass 914.015235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPNoexB7o5L
Name (5-ETA-C5H5)-TICL2-[N-P-(ISO-PROPYL)2-(2-CH2-PY)].B(C6F5)3
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H21BCl2F15N2PTi
InChI InChI=1S/C30H20BF15N2P.C5H.2ClH.Ti/c1-10(2)49(47,11(3)4)9-12-7-5-6-8-48(12)31(13-16(32)22(38)28(44)23(39)17(13)33,14-18(34)24(40)29(45)25(41)19(14)35)15-20(36)26(42)30(46)27(43)21(15)37;1-2-4-5-3-1;;;/h5-8,10-11H,9H2,1-4H3;1H;2*1H;/q-1;;;;+3/p-2
InChIKey HTKLLESSSGGDSQ-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 915.111 g/mol
Sample ID 46752
Solvent C6D6