2,4-Dimethoxybenzylamine hydrochloride(20781-21-9) 1H NMR
Product Name2,4-Dimethoxybenzylamine hydrochloride
CAS20781-21-9
Molecular FormulaC9H14ClNO2
Molecular Weight203.67
InChIInChI=1S/C9H13NO2.ClH/c1-11-8-4-3-7(6-10)9(5-8)12-2;/h3-5H,6,10H2,1-2H3;1H
InChIKey KJOWSAVFSCSBMZ-UHFFFAOYSA-N
SmilesC1(OC)=CC(=CC=C1CN)OC.Cl
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MassMS-NW-6352 2,4-dimethoxybenzylamine hydrochloride C9H13NO2 HCl (Mass of molecular ion: 167)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 3.6 18.0 3.0 27.0 1.6 28.0 6.7 29.0 1.0 30.0 10.7 35.0 4.0 36.0 19.3 37.0 1.3 38.0 6.2 39.0 7.4 41.0 2.9 42.0 1.1 50.0 3.1 51.0 5.9 52.0 3.7 53.0 3.0 54.0 2.4 55.0 1.1 62.0 2.2 63.0 5.4 64.0 4.3 65.0 9.7 66.0 3.4 67.0 1.8 68.0 1.0 69.0 2.4 74.0 1.0 76.0 1.6 77.0 10.3 78.0 6.3 79.0 3.7 80.0 3.6 81.0 1.6 89.0 1.1 90.0 1.0 91.0 9.6 92.0 5.8 93.0 4.7 94.0 2.9 95.0 2.6 96.0 1.6 105.0 1.8 106.0 2.8 107.0 4.4 108.0 8.1 109.0 7.0 110.0 2.0 119.0 3.7 120.0 3.5 121.0 24.0 122.0 4.8 123.0 2.6 124.0 4.7 125.0 3.5 134.0 10.6 135.0 7.0 136.0 26.5 137.0 8.1 138.0 4.5 139.0 7.0 149.0 7.3 150.0 19.5 151.0 42.7 152.0 12.6 153.0 1.2 163.0 1.8 166.0 100.0 167.0 76.1 168.0 7.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H13 N O2 0.040 g : 0.5 ml DMSO-d6 2,4-dimethoxybenzylamine hydrochloride 
Assign. Shift(ppm)
A 8.43 B 7.346 C 6.610 D 6.544 E 3.857 F *1 3.819 G *1 3.777
Hz ppm Int.3367.55 8.427 106 2940.31 7.358 146 2932.01 7.337 156 2643.19 6.614 146 2640.87 6.608 172 2620.73 6.558 102 2618.29 6.552 86 2612.30 6.537 95 2609.99 6.531 85 1541.38 3.857 281 1526.25 3.819 879 1509.52 3.778 1000
in DMSO-d6
KBr disc
nujol mull
