38430-55-6

ETHYL 4-ACETYLBENZOATE(38430-55-6) MS

Product NameETHYL 4-ACETYLBENZOATE

CAS 38430-55-6

Molecular FormulaC11H12O3

Molecular Weight192.21

InChIInChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-9(5-7-10)8(2)12/h4-7H,3H2,1-2H3

InChIKey GLOAPLPTWAXAIG-UHFFFAOYSA-N

SmilesC(OCC)(=O)C1=CC=C(C(C)=O)C=C1

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ETHYL 4-ACETYLBENZOATE(38430-55-6) MS
Mass

MS2017-05459CM      
ethyl p-acetylbenzoate
C11H12O3            (Mass of molecular ion:    192)

   Source Temperature: 245 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      18.0       1.1
      27.0       1.4
      29.0       1.6
      39.0       1.2
      43.0       9.3
      50.0       5.2
      51.0       2.5
      52.0       1.6
      63.0       1.1
      65.0       9.2
      66.0       2.6
      74.0       2.2
      75.0       4.0
      76.0       9.8
      77.0       4.8
      89.0       1.3
      90.0       1.0
      91.0       8.7
      93.0       1.3
     103.0       5.8
     104.0       8.2
     105.0       1.9
     119.0       7.2
     120.0       1.3
     121.0      10.3
     122.0       1.5
     132.0       1.1
     147.0      37.3
     148.0       4.0
     149.0      37.8
     150.0       3.5
     164.0       3.3
     177.0     100.0
     178.0      10.7
     179.0       1.1
     192.0      21.6
     193.0       2.7

90 MHz in CDCl3

ETHYL 4-ACETYLBENZOATE(38430-55-6) MS

¹H NMR	89.56 MHz
C₁₁ H₁₂ O₃	0.044 g : 0.5 ml CDCl₃
ethyl p-acetylbenzoate

    Assign.     Shift(ppm)

      A             8.11
      B             8.01
      C             4.407
      D             2.640
      E             1.416
     
     J(C,E)=7.1HZ.

     Hz     ppm     Int.

    733.06   8.186     60
    732.19   8.176     41
    730.88   8.161     27
    726.69   8.115     40
    724.44   8.089    229
    723.38   8.078     74
    719.25   8.031    222
    716.94   8.006     42
    712.75   7.959     24
    711.38   7.944     40
    710.50   7.934     59
    405.75   4.531     48
    398.50   4.450    169
    391.38   4.371    177
    384.31   4.292     57
    236.44   2.641   1000
    133.88   1.495    186
    126.75   1.416    407
    119.63   1.336    172

in CDCl3