3,4-Dichloroaniline(95-76-1) 1H NMR
Product Name3,4-Dichloroaniline
CAS95-76-1
Molecular FormulaC6H5Cl2N
Molecular Weight162.02
InChIInChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChIKey SDYWXFYBZPNOFX-UHFFFAOYSA-N
SmilesC1(N)=CC=C(Cl)C(Cl)=C1
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MassMS-NW-1634 3,4-dichloroaniline C6H5Cl2N (Mass of molecular ion: 161)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
28.0 2.9 37.0 2.4 38.0 2.2 39.0 2.6 41.0 3.9 44.5 4.0 45.5 1.3 49.0 1.1 50.0 1.7 52.0 3.1 61.0 3.4 62.0 5.5 62.5 4.9 63.0 11.9 63.5 1.6 64.0 3.0 65.0 2.5 72.0 1.7 73.0 5.0 74.0 1.7 75.0 1.9 80.5 4.8 81.5 2.9 88.0 1.0 89.0 2.3 90.0 16.2 91.0 4.8 97.0 1.6 98.0 1.9 99.0 16.5 100.0 1.8 101.0 5.8 124.0 1.1 125.0 6.5 126.0 11.3 127.0 2.9 128.0 3.6 133.0 3.4 134.0 4.1 135.0 2.6 136.0 2.6 160.0 1.3 161.0 100.0 162.0 7.8 163.0 63.5 164.0 4.6 165.0 10.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H5 Cl2 N 0.041 g : 0.5 ml CDCl3 3,4-dichloroaniline 
Assign. Shift(ppm)
A 7.148 B 6.735 C 6.482 D 3.70 J(A,C)=8.6HZ J(B,C)=2.7HZ
Hz ppm Int.645.19 7.204 719 636.63 7.109 949 604.75 6.753 758 602.13 6.724 1000 585.63 6.539 597 582.94 6.509 497 577.06 6.444 453 574.38 6.414 392 330.94 3.696 240
in CDCl3
CCl4 solution
KBr disc
nujol mull
