(2E)-3-(2,5-Dimethoxyphenyl)-2-propenoic acid(38489-74-6) IR1
Product Name(2E)-3-(2,5-Dimethoxyphenyl)-2-propenoic acid
CAS38489-74-6
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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MassMS-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
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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
