2-Chloro-4-picoline(3678-62-4) IR1
Product Name2-Chloro-4-picoline
CAS3678-62-4
Molecular FormulaC6H6ClN
Molecular Weight127.57
InChIInChI=1S/C6H6ClN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKey MZVSTDHRRYQFGI-UHFFFAOYSA-N
SmilesC1(Cl)=NC=CC(C)=C1
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MassMS2006-02930WA 2-chloro-4-methylpyridine C6H6ClN (Mass of molecular ion: 127)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
26.0 1.2 27.0 1.6 37.0 2.8 38.0 4.6 39.0 13.6 40.0 1.8 41.0 1.5 49.0 1.2 50.0 5.0 51.0 4.8 52.0 3.1 61.0 2.0 62.0 3.0 63.0 7.0 64.0 5.8 65.0 37.4 66.0 5.5 73.0 2.7 75.0 1.6 76.0 1.6 85.0 1.2 87.0 1.3 90.0 2.0 91.0 4.9 92.0 91.2 93.0 6.3 99.0 2.1 126.0 1.0 127.0 100.0 128.0 7.2 129.0 32.0 130.0 2.2
parameter in CDCl3
in CDCl3
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1H NMR 300 MHz C6 H6 Cl N 20 % in CDCl3 2-chloro-4-methylpyridine 
Parameter ppm Hz
D(A) 8.10 D(B) 6.87 D(C) 6.92 D(D) 2.20 J(A,B) 4.8 J(A,C) 0.6 J(A,D) 0.2 J(B,C) 1.5 J(B,D) 0.7 J(C,D) 0.8 BELL,C.L. ET AL. J.HETEROCYCL.CHEM. 2, 420 (1965) J(A,D):LESS THAN 0.2HZ.
Hz ppm Int.2432.53 8.108 183 2427.69 8.092 193 2076.73 6.922 173 2076.07 6.920 212 2075.35 6.918 191 2064.47 6.882 94 2063.75 6.879 114 2062.98 6.877 106 2059.57 6.865 94 2058.97 6.863 112 2058.20 6.861 102 2057.48 6.858 78 660.06 2.200 1000
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in CDCl3
Liquid film
