6-Methylquinoline(91-62-3) 13C NMR
Product Name6-Methylquinoline
CAS91-62-3
Molecular FormulaC10H9N
Molecular Weight143.19
InChIInChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3
InChIKey LUYISICIYVKBTA-UHFFFAOYSA-N
SmilesN1C2C(=CC(C)=CC=2)C=CC=1
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MassMS-NW-0152 6-methylquinoline C10H9N (Mass of molecular ion: 143)
Source Temperature: 230 °C Sample Temperature: 75 °C Reservoir, 75 eV
18.0 1.4 28.0 2.1 38.0 1.0 39.0 3.8 50.0 2.2 51.0 3.0 57.5 2.1 58.5 5.0 62.0 2.2 63.0 5.6 64.0 1.5 65.0 1.9 70.5 3.0 71.5 3.9 74.0 1.3 75.0 1.7 76.0 1.2 77.0 1.1 87.0 1.2 88.0 1.2 89.0 6.0 90.0 1.5 113.0 1.4 114.0 2.2 115.0 14.1 116.0 5.5 117.0 3.8 140.0 2.4 141.0 7.8 142.0 47.8 143.0 100.0 144.0 11.6
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C10 H9 N 0.029 g : 0.5 ml CDCl3 6-methylquinoline 
Assign. Shift(ppm)
A 8.833 B 8.03 C 7.99 D 7.55 E 7.53 F 7.328 G 2.520 J(A,B) = 1.7 HZ. J(A,F) = 4.3 HZ. J(B,F) = 8.3 HZ
Hz ppm Int.794.19 8.868 123 792.50 8.849 137 789.94 8.821 132 788.19 8.801 140 724.31 8.088 101 723.63 8.080 85 722.50 8.068 129 721.69 8.059 148 718.25 8.020 50 716.13 7.997 139 714.81 7.982 149 712.19 7.953 195 679.38 7.586 62 677.38 7.564 369 676.31 7.552 235 675.31 7.541 179 674.38 7.530 131 670.31 7.485 134 668.31 7.463 73 662.13 7.394 195 657.88 7.346 169 653.88 7.302 166 649.63 7.254 159 225.75 2.521 1000
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1H NMR 399.65 MHz C10 H9 N 28.8 mg : 0.5 ml CDCl3 6-methylquinoline Assign. Shift(ppm)
A 8.843 B 8.044 C 8.004 D 7.55 E 7.54 F 7.339 G 2.523 J(A,F)=4.3HZ. J(A,B)=1.7HZ. J(B,F)=8.2HZ. J(E,D)=2.0HZ. J(C,E)=8.4HZ. D AND E WERE CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.3537.11 8.851 129 3535.40 8.847 139 3532.84 8.840 143 3531.13 8.836 144 3219.60 8.057 111 3218.75 8.054 114 3218.14 8.053 112 3211.43 8.036 123 3210.45 8.034 121 3209.84 8.032 121 3203.13 8.015 174 3194.70 7.994 185 3019.53 7.556 230 3018.55 7.553 266 3017.70 7.551 321 3009.03 7.530 148 3007.08 7.525 115 2939.21 7.355 186 2934.94 7.344 183 2930.91 7.334 176 2926.76 7.324 173 1008.54 2.524 1000
in CDCl3
liquid film
