4-Methylpyridine(108-89-4) IR1
Product Name4-Methylpyridine
CAS108-89-4
Molecular FormulaC6H7N
Molecular Weight93.13
InChIInChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
InChIKey FKNQCJSGGFJEIZ-UHFFFAOYSA-N
SmilesC1=NC=CC(C)=C1
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MassMS-NW-0779 4-methylpyridine C6H7N (Mass of molecular ion: 93)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 2.4 27.0 2.9 28.0 3.8 37.0 2.8 38.0 5.3 39.0 19.3 40.0 9.8 41.0 3.0 50.0 4.4 51.0 7.8 52.0 4.2 53.0 5.6 54.0 7.7 61.0 1.2 62.0 2.2 63.0 5.0 64.0 2.7 65.0 19.4 66.0 36.2 67.0 8.9 78.0 3.8 92.0 23.1 93.0 100.0 94.0 7.2
parameter in DMSO-d6
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 300 MHz C6 H7 N 30 % in DMSO 4-methylpyridine 
Parameter ppm Hz
D(A) 8.60 D(B) 7.28 D(C) 2.32 J(A,A') 0.4 J(A,B) 5.2 J(A,B') 0.8 J(A,C) 0.0 J(A',B) 0.8 J(A',B') 5.2 J(A',C) 0.0 J(B,B') 1.7 J(B,C) 0.7 J(B',C) 0.7 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)
Hz ppm Int.2583.01 8.610 970 2581.61 8.605 596 2578.51 8.595 599 2577.05 8.590 1000 2187.22 7.291 737 2186.75 7.289 751 2181.27 7.271 730 2180.80 7.269 716 696.04 2.320 987
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1H NMR 399.65 MHz C6 H7 N 0.018 g : 0.5 ml CDCl3 4-methylpyridine Assign. Shift(ppm)
A 8.463 B 7.104 C 2.349
Hz ppm Int.3385.50 8.472 233 3383.91 8.468 161 3380.98 8.460 162 3379.39 8.456 250 2842.77 7.114 217 2842.04 7.112 237 2841.19 7.110 186 2840.45 7.108 148 2838.38 7.103 150 2837.65 7.101 193 2836.79 7.099 248 2836.06 7.097 224 938.60 2.349 1000
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1H NMR 89.56 MHz C6 H7 N 0.018 g : 0.5 ml CDCl3 4-methylpyridine Assign. Shift(ppm)
A 8.454 B 7.094 C 2.343
Hz ppm Int.760.31 8.490 209 758.75 8.472 138 756.00 8.442 138 754.31 8.423 237 638.63 7.131 195 637.94 7.124 222 637.06 7.114 162 636.38 7.106 127 634.94 7.090 60 634.31 7.083 115 633.50 7.074 149 632.69 7.065 203 632.00 7.057 191 209.81 2.343 1000
in CDCl3
CCl4 solution
liquid film
X-IRRAD. OF ADAMANTANE RECRYST. FROM 4-PICOLINE
ANION RADICAL, ELECTROLYSIS IN LIQ. NH3
