797-21-7

Benzoic acid, 4,4'-(1,2-ethanediyl)bis-, dimethyl ester(797-21-7) MS

Product NameBenzoic acid, 4,4'-(1,2-ethanediyl)bis-, dimethyl ester

CAS 797-21-7

Molecular FormulaC18H18O4

Molecular Weight298.33312

InChIInChI=1S/C18H18O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,3-4H2,1-2H3

InChIKey VCKIQSATAZPKJV-UHFFFAOYSA-N

SmilesC(C1=CC=C(C=C1)C(OC)=O)CC1=CC=C(C=C1)C(OC)=O

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¹HNMR

¹³CNMR

Benzoic acid, 4,4'-(1,2-ethanediyl)bis-, dimethyl ester(797-21-7) MS
Mass

MS-IW-7746          
dimethyl 4,4'-ethylenedibenzoate
C18H18O4            (Mass of molecular ion:    298)

   Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      76.0       1.3
      77.0       1.2
      89.0       4.5
      90.0       6.1
      91.0       1.4
     103.0       1.2
     104.0       1.2
     118.0      22.9
     118.5       2.1
     119.0       1.4
     121.0       6.9
     149.0     100.0
     150.0      10.1
     151.0       1.1
     178.0       1.4
     267.0       9.2
     268.0       1.7
     298.0      22.2
     299.0       4.5

400 MHz in CDCl3

Benzoic acid, 4,4'-(1,2-ethanediyl)bis-, dimethyl ester(797-21-7) MS

¹H NMR	399.65 MHz
C₁₈ H₁₈ O₄	0.016 g : 0.5 ml CDCl₃
dimethyl 4,4'-ethylenedibenzoate

    Assign.     Shift(ppm)

      A             7.939
      B             7.194
      C             3.902
      D             2.987

     Hz     ppm     Int.

   3178.96   7.955     43
   3177.25   7.951    225
   3175.42   7.946     80
   3170.65   7.934     87
   3168.82   7.929    232
   3166.99   7.925     44
   2879.15   7.205    211
   2877.44   7.200     75
   2872.56   7.188     78
   2870.85   7.184    198
   1559.33   3.902   1000
   1194.09   2.988    470

in CDCl3

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