Bis(2-ethylhexyl) phthalate(117-81-7) ¹³C NMR

Molecular FormulaC24H38O4

Molecular Weight390.56

InChIInChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3

InChIKey BJQHLKABXJIVAM-UHFFFAOYSA-N

SmilesC1(C(OCC(CC)CCCC)=O)=CC=CC=C1C(OCC(CC)CCCC)=O

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Mass

MS2014-05079CW      
bis(2-ethylhexyl) phthalate
C24H38O4            (Mass of molecular ion:    390)

   Source Temperature: 240 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      27.0       1.2
      29.0       4.2
      39.0       1.1
      41.0       9.9
      42.0       1.9
      43.0      13.5
      55.0       8.2
      56.0       4.3
      57.0      24.1
      58.0       1.1
      65.0       1.3
      69.0       3.7
      70.0      15.4
      71.0      17.6
      72.0       1.0
      76.0       2.7
      77.0       1.0
      82.0       1.0
      83.0       5.7
      84.0       2.9
      93.0       1.4
     104.0       5.5
     105.0       1.9
     112.0       7.4
     113.0      10.9
     121.0       1.5
     122.0       1.6
     132.0       2.3
     149.0     100.0
     150.0      11.1
     151.0       1.2
     167.0      35.4
     168.0       3.1
     279.0      14.2
     280.0       2.5

in CDCl3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₄ H₃₈ O₄	0.04 ml : 0.5 ml CDCl₃
bis(2-ethylhexyl) phthalate

    Assign.     Shift(ppm)

      A             7.70
      B             7.52
      C             4.218
      D             1.63
      E          1.49 to 1.27
      F             0.92
      G             0.90

     Hz     ppm     Int.

    695.25   7.763    144
    692.06   7.728    147
    690.25   7.708    123
    689.00   7.694    208
    686.44   7.665    295
    686.00   7.660    316
    682.50   7.621    118
    680.81   7.602    129
    677.38   7.564    305
    676.94   7.559    299
    674.31   7.530    149
    673.06   7.516    127
    671.56   7.499    145
    668.06   7.460    143
    380.94   4.254    592
    375.38   4.192    686
    133.69   1.493    216
    126.25   1.410    325
    120.50   1.346    734
    119.25   1.332    727
    117.88   1.317    704
     89.31   0.998    420
     82.69   0.924   1000
     80.31   0.897    767
     75.00   0.838    279

in CDCl3