2,4-Dichlorobenzylamine(95-00-1) IR1
Product Name2,4-Dichlorobenzylamine
CAS95-00-1
Molecular FormulaC7H7Cl2N
Molecular Weight176.04
InChIInChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
InChIKey SJUKJZSTBBSGHF-UHFFFAOYSA-N
SmilesC1(CN)=CC=C(Cl)C=C1Cl
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MassMS-NW-5645 2,4-dichlorobenzylamine C7H7Cl2N (Mass of molecular ion: 175)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
28.0 29.0 29.0 18.6 30.0 49.5 36.0 1.3 37.0 1.7 38.0 1.7 39.0 1.6 49.0 1.1 50.0 6.3 50.5 1.6 51.0 6.3 51.5 10.1 52.0 2.9 61.0 1.5 62.0 2.2 63.0 3.0 69.5 4.3 70.0 1.0 70.5 1.4 73.0 3.3 74.0 6.2 75.0 10.1 76.0 2.3 77.0 11.5 78.0 2.1 84.0 1.5 85.0 1.9 86.0 1.2 87.0 2.4 88.0 1.1 89.0 2.5 99.0 1.1 100.0 1.3 102.0 2.5 104.0 2.4 109.0 2.4 110.0 1.0 111.0 12.6 112.0 2.4 113.0 8.2 114.0 1.1 115.0 1.4 123.0 5.2 124.0 1.5 125.0 2.0 136.0 1.4 138.0 3.7 139.0 1.1 140.0 100.0 141.0 9.3 142.0 34.6 143.0 3.0 146.0 3.3 147.0 2.8 148.0 2.5 149.0 1.8 159.0 11.0 160.0 1.2 161.0 6.6 163.0 1.2 172.0 1.3 174.0 37.6 175.0 8.9 176.0 25.2 177.0 5.5 178.0 4.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H7 Cl2 N 0.04 ml : 0.5 ml CDCl3 2,4-dichlorobenzylamine 
Assign. Shift(ppm)
A 7.35 B 7.32 C 7.226 D 3.887 E 1.46 J(A,C)=1.8HZ. J(B,C)=8.3HZ.
Hz ppm Int.664.50 7.420 27 663.94 7.414 28 661.50 7.387 235 661.00 7.381 186 658.94 7.358 602 657.13 7.338 686 653.25 7.294 867 652.75 7.289 762 649.56 7.253 910 647.75 7.233 623 641.31 7.161 202 639.50 7.141 150 348.19 3.888 1000 342.56 3.825 42 342.19 3.821 40 341.13 3.809 30 130.81 1.461 281
in CDCl3
liquid film
