1,2,4-Trimethoxybenzene (135-77-3) IR1
Product Name1,2,4-Trimethoxybenzene
CAS135-77-3
Molecular FormulaC9H12O3
Molecular Weight168.19
InChIInChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3
InChIKey AGIQIOSHSMJYJP-UHFFFAOYSA-N
SmilesC1(OC)=CC=C(OC)C=C1OC
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MassMS-NW-6059 1,2,4-trimethoxybenzene C9H12O3 (Mass of molecular ion: 168)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 6.1 26.0 1.6 27.0 1.6 28.0 2.9 29.0 1.7 38.0 2.3 39.0 7.6 41.0 3.9 43.0 1.4 50.0 4.4 51.0 10.3 52.0 12.1 53.0 5.9 54.0 2.2 55.0 2.5 59.0 2.6 62.0 2.3 63.0 3.9 64.0 3.0 65.0 7.7 66.0 2.1 67.0 2.3 69.0 14.6 77.0 6.5 78.0 1.0 79.0 10.2 80.0 5.0 81.0 1.3 82.0 4.6 92.0 3.5 93.0 7.4 94.0 2.7 95.0 8.5 97.0 1.4 107.0 6.7 108.0 4.9 109.0 3.5 110.0 16.3 111.0 1.6 121.0 1.0 122.0 2.4 123.0 3.2 124.0 1.1 125.0 49.0 126.0 4.2 137.0 1.9 152.0 2.2 153.0 87.0 154.0 8.5 155.0 1.2 165.0 1.4 166.0 2.5 167.0 1.1 168.0 100.0 169.0 10.6 170.0 1.2
parameter in CDCl3
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1H NMR 300 MHz C9 H12 O3 0.05 ml : 0.5 ml CDCl3 1,2,4-trimethoxybenzene 
Parameter ppm Hz
D(A) 6.760 D(B) 6.502 D(C) 6.383 J(A,B) 0.0 J(A,C) 8.6 J(B,C) 2.8 D(D) *1 3.831 D(E) *1 3.808 D(F) *1 3.743
Hz ppm Int.
2032.47 6.775 154 2023.88 6.746 179 1952.06 6.507 156 1949.27 6.498 182 1920.38 6.401 99 1917.62 6.392 84 1911.79 6.373 84 1909.03 6.363 73 1149.30 3.831 1000 1142.42 3.808 1000 1122.94 3.743 997
in CDCl3
liquid film
4880 A,200 M,liquid
