619-64-7

對乙基苯甲酸(619-64-7)紅外圖譜(IR1)

產(chǎn)品名稱:對乙基苯甲酸

CAS:619-64-7

分子式:C9H10O2

分子量: 150.17

InChI:InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)

InChIKey: ZQVKTHRQIXSMGY-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=C(CC)C=C1

Mass

MS-NW-6552          
p-ethylbenzoic acid
C9H10O2             (Mass of molecular ion:    150)

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

      27.0       5.7
      28.0       2.8
      38.0       1.8
      39.0       7.5
      41.0       1.1
      44.0       1.0
      45.0       2.4
      50.0       6.7
      51.0      12.6
      52.0       2.4
      53.0       2.9
      62.0       2.4
      63.0       6.1
      64.0       1.6
      65.0       4.7
      66.0       1.0
      74.0       2.9
      75.0       2.3
      76.0       2.2
      77.0      23.7
      78.0       5.3
      79.0      12.4
      89.0       5.8
      90.0       4.3
      91.0      17.6
      92.0       1.4
     102.0       1.7
     103.0       8.8
     104.0       3.8
     105.0     100.0
     106.0      10.6
     107.0      24.0
     108.0       1.8
     131.0       1.9
     132.0       1.3
     133.0       6.9
     135.0      64.0
     136.0       6.1
     149.0       1.3
     150.0      63.6
     151.0       6.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₂	saturated in CDCl₃
p-ethylbenzoic acid

    Assign.     Shift(ppm)

      A            12.1
      B             8.038
      C             7.29
      D             2.71
      E             1.267

     Hz     ppm     Int.

   1079.74  12.057     84
    724.52   8.090    431
    722.81   8.071    185
    720.34   8.044     80
    717.94   8.017    225
    716.15   7.997    535
    657.19   7.338    463
    653.09   7.293     80
    648.65   7.243    552
    255.15   2.849     96
    247.46   2.764    308
    244.73   2.733     65
    244.04   2.725     61
    242.50   2.708     83
    239.94   2.680    347
    236.18   2.638     53
    232.51   2.597    140
    120.65   1.348    491
    117.15   1.309     79
    113.13   1.264   1000
    109.20   1.220     73
    105.44   1.178    377

in CDCl3