(2E)-3-(2,5-Dimethoxyphenyl)-2-propenoic acid(38489-74-6) IR2

Product Name(2E)-3-(2,5-Dimethoxyphenyl)-2-propenoic acid

CAS 38489-74-6

Molecular FormulaC11H12O4

Molecular Weight208.21

InChIInChI=1S/C11H12O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-3+

InChIKey JPQWWJZORKTMIZ-ZZXKWVIFSA-N

SmilesC(O)(=O)/C=C/C1=CC(OC)=CC=C1OC

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Mass

MS-NW-9863          
trans-2,5-dimethoxycinnamic acid
C11H12O4            (Mass of molecular ion:    208)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.7
      28.0       1.1
      39.0       1.3
      50.0       1.0
      51.0       3.2
      53.0       1.2
      54.0       1.0
      55.0       1.2
      63.0       1.8
      65.0       2.5
      66.0       1.0
      77.0       7.2
      78.0       2.4
      79.0       1.5
      88.0       2.1
      89.0       2.0
      91.0      16.5
      92.0       1.8
      93.0       1.6
     105.0       4.2
     106.0       1.8
     109.0       1.4
     118.0       1.2
     119.0       1.6
     121.0      18.9
     122.0       1.8
     123.0       1.3
     133.0       8.7
     134.0       3.2
     137.0       1.0
     147.0       2.1
     148.0       7.1
     149.0       8.7
     150.0       1.1
     161.0      11.6
     162.0       2.2
     165.0       1.3
     175.0       2.9
     176.0      18.6
     177.0      50.4
     178.0       5.9
     191.0       1.4
     193.0       4.2
     208.0     100.0
     209.0      12.1
     210.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₂ O₄	0.035 g : 0.5 ml CDCl₃
trans-2,5-dimethoxycinnamic acid

    Assign.     Shift(ppm)

      A            11.
      B             8.085
      C             7.063
      D             6.935
      E             6.859
      F             6.524
      G     *1      3.848
      J     *1      3.794
     
     J(B,F)=16.1HZ

     Hz     ppm     Int.

   3239.67   8.107    152
   3223.55   8.066    160
   2824.43   7.068    137
   2821.31   7.060    154
   2778.82   6.954     71
   2775.71   6.946     60
   2769.84   6.931    115
   2766.73   6.923    108
   2744.93   6.869    191
   2735.77   6.846    112
   2615.25   6.544    177
   2599.13   6.504    167
   1538.23   3.849    884
   1516.44   3.795   1000

in CDCl3

KBr disc

nujol mull

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