BIS(3,5,5-TRIMETHYLHEXYL) PHTHALATE(14103-61-8) IR1

Product NameBIS(3,5,5-TRIMETHYLHEXYL) PHTHALATE

Molecular FormulaC26H42O4

Molecular Weight418.61

InChIInChI=1S/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3

InChIKey GDJOUZYAIHWDCA-UHFFFAOYSA-N

SmilesC1(C(OCCC(C)CC(C)(C)C)=O)=CC=CC=C1C(OCCC(C)CC(C)(C)C)=O

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             7.69
      B             7.53
      C             4.33
      D          1.94 to 1.40
      E     *1      1.24
      F     *1      1.09
      G             0.99
      J             0.90

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

      167.47   376      1
      132.49   418      2
      130.78   499      3
      128.78   569      4
       64.21   581      5
       51.16   604      6
       37.79   468      7
       31.05   343      8
       30.00  1000      9
       26.44   371     10
       22.59   490     11

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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