3,4-Dichlorobenzylamine(102-49-8) MS
Product Name3,4-Dichlorobenzylamine
CAS102-49-8
Molecular FormulaC7H7Cl2N
Molecular Weight176.04
InChIInChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKey IXHNFOOSLAWRBQ-UHFFFAOYSA-N
SmilesC1(CN)=CC=C(Cl)C(Cl)=C1
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MassMS-NW-5641 3,4-dichlorobenzylamine C7H7Cl2N (Mass of molecular ion: 175)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.0 28.0 34.0 29.0 15.7 30.0 50.2 36.0 1.2 37.0 1.7 38.0 1.6 39.0 2.0 49.0 1.2 50.0 5.3 50.5 1.3 51.0 5.3 51.5 7.7 52.0 3.4 54.0 1.1 61.0 1.7 62.0 2.4 63.0 3.5 69.5 3.4 70.5 1.2 73.0 3.4 74.0 6.0 75.0 9.5 76.0 2.0 77.0 11.9 78.0 2.4 84.0 1.9 85.0 2.0 86.0 1.5 87.0 2.3 88.0 1.2 89.0 3.0 97.0 1.1 99.0 1.3 102.0 1.1 104.0 3.7 109.0 3.6 110.0 1.2 111.0 12.9 112.0 2.7 113.0 8.1 114.0 1.0 115.0 1.6 123.0 5.8 124.0 1.6 125.0 4.9 127.0 1.3 138.0 1.3 139.0 1.5 140.0 100.0 141.0 10.7 142.0 32.2 143.0 3.3 145.0 1.8 146.0 2.3 147.0 4.9 148.0 1.7 149.0 2.8 155.0 1.6 159.0 9.2 160.0 2.4 161.0 6.1 162.0 1.5 163.0 1.2 172.0 1.3 174.0 33.8 175.0 9.2 176.0 23.4 177.0 6.1 178.0 5.1 179.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H7 Cl2 N 0.04 ml : 0.5 ml CDCl3 3,4-dichlorobenzylamine 
Assign. Shift(ppm)
A 7.42 B 7.38 C 7.147 D 3.831 E 1.48 J(A,C)=2.0HZ. J(B,C)=8.2HZ.
Hz ppm Int.667.31 7.451 66 665.44 7.431 833 665.00 7.426 863 664.31 7.418 421 663.44 7.408 549 663.06 7.404 567 657.13 7.338 1000 644.31 7.195 287 643.69 7.188 521 643.06 7.181 307 642.31 7.172 282 641.69 7.165 428 641.06 7.158 234 636.06 7.103 134 635.44 7.096 232 634.81 7.089 151 634.13 7.081 135 633.50 7.074 222 632.88 7.067 119 348.81 3.895 52 343.13 3.832 696 132.06 1.475 247
in CDCl3
liquid film
