3-METHYLCINNAMIC ACID(14473-89-3) ¹³C NMR

Product Name3-METHYLCINNAMIC ACID

CAS 14473-89-3

Molecular FormulaC10H10O2

Molecular Weight162.19

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Mass

MS-KW-0541          
3-methylcinnamic acid
C10H10O2            (Mass of molecular ion:    162)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       2.4
      27.0       2.7
      28.0       1.9
      38.0       1.8
      39.0      13.7
      40.0       1.4
      41.0       2.7
      43.0       4.5
      44.0       2.0
      45.0       5.3
      50.0       5.3
      51.0      10.2
      52.0       3.5
      53.0       2.3
      55.0       2.0
      57.0       3.8
      57.5       9.0
      58.0       6.4
      58.5       1.9
      60.0       2.8
      61.0       1.2
      62.0       3.8
      63.0      10.7
      64.0       2.3
      65.0      14.9
      66.0       2.2
      69.0       1.7
      72.0       2.3
      72.5       2.0
      74.0       2.6
      75.0       3.4
      76.0       2.1
      77.0       6.6
      78.0       2.8
      79.0       3.2
      80.0       7.7
      86.0       1.1
      87.0       1.5
      89.0       8.3
      90.0       2.5
      91.0      31.7
      92.0       4.7
      93.0       2.4
     101.0       1.5
     102.0       5.0
     103.0       8.4
     104.0       1.1
     105.0      10.6
     106.0       1.6
     107.0       1.2
     108.0       1.2
     113.0       1.0
     114.0       1.5
     115.0      50.7
     116.0      23.9
     117.0      30.0
     118.0       6.9
     119.0       8.7
     120.0       1.8
     121.0       1.4
     133.0       4.2
     134.0       3.7
     143.0       1.0
     144.0       8.1
     145.0      26.4
     146.0       3.1
     147.0      63.2
     148.0       6.4
     161.0      66.1
     162.0     100.0
     163.0      11.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀H₁₀O₂	0.039 g : 0.5 ml CDCl₃
trans-3-methylcinnamic acid

    Assign.     Shift(ppm)

     A          11.8
     B           7.760
     C           7.345
     D           7.34
     E           7.278
     F           7.211
     G           6.433
     J           2.365

     Hz     ppm     Int.

   4864.87  12.169      1
   4712.64  11.789      6
   4530.75  11.334      1
   3110.20   7.780    235
   3094.26   7.740    249
   2937.46   7.348    224
   2936.36   7.345    227
   2935.81   7.344    236
   2933.25   7.338    154
   2932.51   7.336    157
   2931.23   7.333    169
   2917.13   7.297    142
   2914.01   7.289     28
   2909.43   7.278    225
   2906.14   7.270     38
   2901.56   7.258    132
   2885.62   7.218    150
   2878.11   7.200     91
   2579.34   6.452    379
   2563.41   6.412    354
   1007.67   2.521      8
    975.98   2.442      5
    945.21   2.365   1000
    881.28   2.205      8

in CDCl3