Diethyl phthalate (84-66-2) MS

Product NameDiethyl phthalate

CAS 84-66-2

Molecular FormulaC12H14O4

Molecular Weight222.24

InChIInChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

InChIKey FLKPEMZONWLCSK-UHFFFAOYSA-N

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

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Mass

MS-NW-5524          
diethyl phthalate
C12H14O4            (Mass of molecular ion:    222)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       5.1
      28.0       1.5
      29.0       8.2
      39.0       2.4
      45.0       1.1
      50.0       4.7
      51.0       2.1
      52.0       1.0
      65.0       8.5
      66.0       2.2
      74.0       1.2
      75.0       1.4
      76.0       7.9
      77.0       3.9
      93.0       6.4
     104.0       6.5
     105.0       7.9
     106.0       1.5
     121.0       5.6
     122.0       3.2
     132.0       1.5
     149.0     100.0
     150.0      12.6
     151.0       1.3
     176.0       8.1
     177.0      27.4
     178.0       6.1
     222.0       3.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₁₄ O₄	0.04 ml : 0.5 ml CDCl₃
diethyl phthalate

    Assign.     Shift(ppm)

      A             7.71
      B             7.53
      C             4.363
      D             1.366

     Hz     ppm     Int.

    696.63   7.779     84
    693.25   7.741    102
    691.38   7.720     69
    690.25   7.708    107
    687.63   7.678    191
    687.19   7.673    155
    683.69   7.634     54
    680.81   7.602     53
    677.19   7.562    191
    674.13   7.528     88
    673.00   7.515     68
    671.38   7.497     95
    667.94   7.459     85
    401.94   4.488    120
    394.69   4.407    422
    387.50   4.327    448
    380.56   4.250    145
    129.31   1.444    463
    122.25   1.366   1000
    115.06   1.285    410

in CDCl3