3-Chloro-4-methylaniline(95-74-9) MS
Product Name3-Chloro-4-methylaniline
CAS95-74-9
Molecular FormulaC7H8ClN
Molecular Weight141.6
InChIInChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
InChIKey RQKFYFNZSHWXAW-UHFFFAOYSA-N
SmilesC1(N)=CC=C(C)C(Cl)=C1
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MassMS-NW-5062 3-chloro-p-toluidine C7H8ClN (Mass of molecular ion: 141)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.8 28.0 4.6 30.0 1.3 36.0 2.5 38.0 1.8 39.0 3.8 41.0 1.7 42.0 1.1 50.0 4.6 51.0 10.5 51.5 2.5 52.0 7.9 52.5 8.5 53.0 3.9 54.0 2.0 61.0 1.1 62.0 1.9 63.0 3.4 64.0 1.0 65.0 1.8 66.0 1.0 70.5 2.5 73.0 1.2 74.0 1.3 75.0 1.9 76.0 2.1 77.0 21.8 78.0 8.4 79.0 6.4 80.0 1.7 89.0 1.8 102.0 1.0 104.0 9.7 105.0 5.2 106.0 65.2 107.0 6.5 113.0 2.3 114.0 1.0 125.0 1.0 140.0 82.9 141.0 100.0 142.0 33.3 143.0 32.4 144.0 2.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H8 Cl N 0.04 ml : 0.5 ml CDCl3 3-chloro-p-toluidine 
Assign. Shift(ppm)
A 6.958 B 6.675 C 6.473 D 3.48 E 2.234
Hz ppm Int.627.94 7.012 116 619.88 6.922 163 599.31 6.692 181 596.88 6.665 234 584.13 6.523 149 581.75 6.496 116 576.06 6.433 102 573.69 6.406 85 311.81 3.482 317 202.81 2.265 32 200.50 2.239 998 200.19 2.236 1000
in CDCl3
liquid film
