4-Aminoveratrole(6315-89-5) IR1
Product Name4-Aminoveratrole
CAS6315-89-5
Molecular FormulaC8H11NO2
Molecular Weight153.18
InChIInChI=1S/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3
InChIKey LGDHZCLREKIGKJ-UHFFFAOYSA-N
SmilesC1(N)=CC=C(OC)C(OC)=C1
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MassMS-NW-6258 3,4-dimethoxyaniline C8H11NO2 (Mass of molecular ion: 153)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.3 18.0 1.5 26.0 1.0 27.0 1.6 28.0 3.6 29.0 1.1 33.5 2.8 38.0 2.0 39.0 6.2 40.0 2.5 41.0 10.3 42.0 1.6 50.0 1.9 51.0 3.9 52.0 8.1 53.0 5.0 54.0 2.2 55.0 1.3 61.5 1.3 62.0 1.1 63.0 1.6 64.0 1.0 65.0 7.9 66.0 2.6 67.0 11.4 68.0 4.5 69.0 1.7 77.0 1.0 78.0 2.9 79.0 4.3 80.0 9.3 81.0 1.6 82.0 3.1 92.0 8.1 93.0 5.2 94.0 2.1 95.0 16.5 96.0 1.3 107.0 2.4 108.0 5.7 109.0 2.6 110.0 40.1 111.0 3.0 122.0 1.6 125.0 3.0 137.0 2.6 138.0 88.5 139.0 7.7 152.0 3.2 153.0 100.0 154.0 9.2 155.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H11 N O2 0.040 g : 0.5 ml CDCl3 3,4-dimethoxyaniline 
Assign. Shift(ppm)
A 6.697 B 6.299 C 6.222 D *1 3.812 E *1 3.794 F 3.4
Hz ppm Int.2680.79 6.708 155 2672.36 6.687 168 2519.04 6.304 146 2516.48 6.297 164 2491.82 6.236 113 2489.26 6.229 93 2483.40 6.214 102 2480.83 6.208 87 1523.80 3.813 999 1516.36 3.795 1000 1365.84 3.418 22
in CDCl3
KBr disc
nujol mull
