12088-57-2

BIS[TRIS(2,4-PENTANEDIONATO)TITANIUM(IV)] HEXACHLOROTITANATE(IV)(12088-57-2) ¹³C NMR

Molecular FormulaC15H21Cl6O6Ti2-

Molecular Weight605.76

InChIInChI=1S/3C5H7O2.6ClH.2Ti/c3*1-4(6)3-5(2)7;;;;;;;;/h3*3H,1-2H3;6*1H;;/q3*-1;;;;;;;2*+4/p-6

InChIKey BTZIDZBAPWBBQQ-UHFFFAOYSA-H

Smiles[Ti+4]([Cl-])([Cl-])([Cl-])([Cl-])([Cl-])[Cl-].CC1[CH-]C(C)=O[Ti+4]23(O=C(C)[CH-]C(C)=O2)(O=C(C)[CH-]C(C)=O3)O=1

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BIS[TRIS(2,4-PENTANEDIONATO)TITANIUM(IV)] HEXACHLOROTITANATE(IV)(12088-57-2) <sup>13</sup>C NMR

    Parameter     ppm  Hz

      D(A)         6.000
     
      D(B)         2.168

Spectral Code: 1H NMR : parameter in CDCl3

BIS[TRIS(2,4-PENTANEDIONATO)TITANIUM(IV)] HEXACHLOROTITANATE(IV)(12088-57-2) <sup>13</sup>C NMR

       ppm   Int.  Assign.

      191.69   136      1
      108.87   850      2
       25.69  1000      3

Spectral Code: 13C NMR : in CDCl3

BIS[TRIS(2,4-PENTANEDIONATO)TITANIUM(IV)] HEXACHLOROTITANATE(IV)(12088-57-2) 13C NMR