2,3,4-Trimethoxybenzoic acid(573-11-5) IR2
Product Name2,3,4-Trimethoxybenzoic acid
CAS573-11-5
Molecular FormulaC10H12O5
Molecular Weight212.2
InChIInChI=1S/C10H12O5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChIKey HZNQSWJZTWOTKM-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(OC)C(OC)=C1OC
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MassMS-NW-6770 2,3,4-trimethoxybenzoic acid C10H12O5 (Mass of molecular ion: 212)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
14.0 1.2 15.0 18.3 17.0 1.9 18.0 7.0 26.0 1.7 27.0 5.9 28.0 3.2 29.0 6.1 31.0 2.3 37.0 4.9 38.0 15.3 39.0 27.9 40.0 1.7 41.0 3.2 42.0 1.1 43.0 3.6 45.0 5.3 49.0 3.7 50.0 13.0 51.0 15.8 52.0 4.4 53.0 21.2 54.0 2.3 55.0 9.7 59.0 3.5 61.0 3.5 62.0 5.1 63.0 6.6 64.0 3.0 65.0 13.2 66.0 12.6 67.0 6.1 68.0 3.1 69.0 5.1 71.0 6.1 74.0 2.3 75.0 2.7 76.0 3.6 77.0 13.3 78.0 8.0 79.0 8.8 80.0 3.0 81.0 9.7 82.0 2.7 83.0 6.4 90.0 1.4 91.0 2.3 92.0 4.6 93.0 8.8 94.0 9.7 95.0 18.4 96.0 3.0 97.0 1.3 98.0 3.4 99.0 1.0 104.0 1.4 105.0 2.5 106.0 5.8 107.0 7.7 108.0 5.4 109.0 21.6 110.0 4.1 111.0 6.4 119.0 3.4 120.0 5.3 121.0 5.8 122.0 4.1 123.0 10.0 124.0 4.1 125.0 2.6 126.0 3.0 131.0 1.9 132.0 1.4 133.0 2.6 134.0 5.6 135.0 6.5 136.0 4.4 137.0 71.4 138.0 7.5 139.0 34.1 140.0 3.3 141.0 6.7 147.0 1.4 148.0 3.0 149.0 3.6 150.0 1.3 151.0 8.9 152.0 9.6 153.0 2.7 154.0 6.1 161.0 1.4 162.0 2.3 163.0 3.6 164.0 3.5 165.0 13.1 166.0 3.8 167.0 27.8 168.0 3.4 169.0 19.1 170.0 1.9 177.0 1.0 179.0 39.2 180.0 4.4 181.0 4.2 182.0 1.8 183.0 11.5 184.0 1.4 193.0 4.6 194.0 1.2 195.0 10.4 196.0 1.4 197.0 26.8 198.0 3.0 212.0 100.0 213.0 11.0 214.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O5 0.043 g : 0.5 ml CDCl3 2,3,4-trimethoxybenzoic acid 
Assign. Shift(ppm)
A 10.7 B 7.885 C 6.817 D 4.130 E *1 3.948 F *1 3.892
Hz ppm Int.711.11 7.941 125 702.14 7.840 151 614.64 6.863 144 605.66 6.763 123 374.78 4.185 25 369.91 4.131 929 364.44 4.070 56 364.01 4.065 56 360.60 4.027 32 360.17 4.022 31 353.59 3.949 903 348.55 3.892 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
