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TI2-[[(2S,3S)-1,4-BIS-(3,5-DIMETHYLPYRAZOL-1-YL)-2,3-DIOXYBUTANE]-OCOCF3]2-(O-IPR)4

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TI2-[[(2S,3S)-1,4-BIS-(3,5-DIMETHYLPYRAZOL-1-YL)-2,3-DIOXYBUTANE]-OCOCF3]2-(O-IPR)4
SpectraBase Compound ID BdaSBD8goeN
InChI InChI=1S/2C14H20N4O2.4C3H7O.2C2HF3O2.2Ti/c2*1-9-5-11(3)17(15-9)7-13(19)14(20)8-18-12(4)6-10(2)16-18;4*1-3(2)4;2*3-2(4,5)1(6)7;;/h2*5-6,13-14H,7-8H2,1-4H3;4*3H,1-2H3;2*(H,6,7);;/q2*-2;4*-1;;;2*+5/p-2
InChIKey VOZDBCOZPAZQQT-UHFFFAOYSA-L
Mol Weight 1110.8 g/mol
Molecular Formula C44H68F6N8O12Ti2
Exact Mass 1110.38197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6sWb2A2P9fk
Name TI2-[[(2S,3S)-1,4-BIS-(3,5-DIMETHYLPYRAZOL-1-YL)-2,3-DIOXYBUTANE]-OCOCF3]2-(O-IPR)4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H68F6N8O12Ti2
InChI InChI=1S/2C14H20N4O2.4C3H7O.2C2HF3O2.2Ti/c2*1-9-5-11(3)17(15-9)7-13(19)14(20)8-18-12(4)6-10(2)16-18;4*1-3(2)4;2*3-2(4,5)1(6)7;;/h2*5-6,13-14H,7-8H2,1-4H3;4*3H,1-2H3;2*(H,6,7);;/q2*-2;4*-1;;;2*+5/p-2
InChIKey VOZDBCOZPAZQQT-UHFFFAOYSA-L
Literature Reference Author S.BIANCHET,P.G.POTVIN
Literature Reference Citation CAN.J.CHEM.,70,2256(1992)
Literature Reference DOI 10.1139/v92-284
Molecular Weight 1110.821 g/mol
Solvent CDCl3
Source File Reference UWVP3013