3,4,5-Trimethoxycinnamic acid(90-50-6) MS
Product Name3,4,5-Trimethoxycinnamic acid
CAS90-50-6
Molecular FormulaC12H14O5
Molecular Weight238.24
InChIInChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)
InChIKey YTFVRYKNXDADBI-UHFFFAOYSA-N
SmilesC(O)(=O)C=CC1=CC(OC)=C(OC)C(OC)=C1
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MassMS-NW-7002 3,4,5-trimethoxycinnamic acid C12H14O5 (Mass of molecular ion: 238)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 2.5 18.0 2.3 27.0 1.4 28.0 1.1 38.0 1.4 39.0 3.1 45.0 1.5 50.0 2.3 51.0 3.9 52.0 1.0 53.0 3.5 55.0 1.5 59.0 1.1 62.0 1.5 63.0 4.9 64.0 2.0 65.0 3.8 66.0 1.7 69.0 3.1 74.0 1.1 75.0 1.7 76.0 2.2 77.0 4.9 78.0 1.7 79.0 2.3 81.0 3.0 89.0 1.9 91.0 5.1 92.0 2.5 93.0 1.4 95.0 1.1 102.0 1.1 103.0 1.9 104.0 1.0 105.0 1.9 106.0 1.2 107.0 2.7 108.0 1.1 109.0 2.3 117.0 1.5 118.0 1.1 119.0 4.5 120.0 2.1 121.0 4.8 124.0 1.1 133.0 2.0 134.0 1.8 135.0 7.4 136.0 1.5 137.0 3.4 139.0 3.2 145.0 1.9 147.0 2.3 149.0 3.1 152.0 1.2 153.0 1.5 162.0 1.9 163.0 13.4 164.0 2.6 165.0 1.4 167.0 2.4 177.0 4.2 178.0 3.7 179.0 1.0 180.0 3.2 191.0 2.1 192.0 1.5 193.0 1.6 195.0 5.1 208.0 1.4 221.0 1.8 222.0 2.2 223.0 57.8 224.0 7.2 225.0 1.1 238.0 100.0 239.0 13.4 240.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H14 O5 0.046 g : 0.5 ml CDCl3 3,4,5-trimethoxycinnamic acid 
Assign. Shift(ppm)
A 12.07 B 7.709 C 6.787 D 6.371 E 3.897 J(B,D)=15.9HZ.
Hz ppm Int.699.40 7.810 30 683.51 7.632 39 607.89 6.788 145 577.55 6.449 54 561.74 6.273 42 348.97 3.897 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
