trans-2,3-Dimethoxycinnamic acid(7345-82-6) IR2
Product Nametrans-2,3-Dimethoxycinnamic acid
CAS7345-82-6
Molecular FormulaC11H12O4
Molecular Weight208.21
InChIInChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+
InChIKey QAXPUWGAGVERSJ-VOTSOKGWSA-N
SmilesC(O)(=O)/C=C/C1=CC=CC(OC)=C1OC
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MassMS-IW-6983 trans-2,3-dimethoxycinnamic acid C11H12O4 (Mass of molecular ion: 208)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 4.0 28.0 1.7 38.0 1.1 39.0 2.5 45.0 1.1 50.0 2.0 51.0 6.1 52.0 1.4 53.0 1.3 55.0 1.7 59.0 1.1 62.0 1.2 63.0 2.9 65.0 3.6 66.0 2.8 74.0 1.1 75.0 1.5 76.0 1.8 77.0 10.5 78.0 3.3 79.0 1.7 88.0 2.3 89.0 3.4 90.0 1.3 91.0 12.2 92.0 1.6 94.0 1.6 102.0 1.1 103.0 4.5 104.0 1.5 105.0 7.0 106.0 2.0 107.0 1.1 109.0 1.5 117.0 1.0 118.0 2.6 119.0 2.7 120.0 3.1 121.0 17.9 122.0 2.1 123.0 1.2 131.0 2.6 132.0 1.0 133.0 10.5 134.0 17.0 135.0 2.5 137.0 1.2 147.0 5.8 148.0 11.7 149.0 7.8 150.0 1.6 161.0 6.0 162.0 4.7 163.0 1.5 175.0 4.7 176.0 41.8 177.0 90.3 178.0 10.2 179.0 1.1 191.0 4.4 193.0 1.0 208.0 100.0 209.0 12.5 210.0 1.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H12 O4 0.041 g : 0.5 ml DMSO-d6 trans-2,3-dimethoxycinnamic acid 
Assign. Shift(ppm)
A 12.5 B 7.828 C 7.334 D 7.12 E 6.538 F *1 3.839 G *1 3.780
Hz ppm Int.3136.88 7.850 151 3120.64 7.809 161 2936.23 7.348 67 2932.81 7.339 63 2930.04 7.332 77 2926.83 7.324 80 2852.26 7.137 36 2847.34 7.125 332 2844.14 7.117 149 2841.36 7.110 131 2833.24 7.090 21 2621.05 6.559 193 2604.81 6.518 179 1534.47 3.840 789 1528.91 3.826 24 1510.75 3.781 1000
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
