Quinaldine(91-63-4) IR1
Product NameQuinaldine
CAS91-63-4
Molecular FormulaC10H9N
Molecular Weight143.19
InChIInChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
InChIKey SMUQFGGVLNAIOZ-UHFFFAOYSA-N
SmilesN1C2C(=CC=CC=2)C=CC=1C
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MassMS-NW-0146 2-methylquinoline C10H9N (Mass of molecular ion: 143)
Source Temperature: 200 °C Sample Temperature: 75 °C Reservoir, 75 eV
27.0 1.3 28.0 1.1 38.0 1.3 39.0 4.4 50.0 5.1 51.0 6.5 52.0 1.8 57.5 1.1 58.5 3.6 62.0 2.0 63.0 4.8 64.0 1.3 65.0 1.3 70.5 1.9 71.5 3.9 74.0 2.8 75.0 5.5 76.0 4.9 77.0 4.4 87.0 1.0 88.0 1.0 89.0 3.7 90.0 2.1 101.0 5.9 102.0 3.3 103.0 1.1 113.0 1.0 114.0 1.3 115.0 14.4 116.0 6.6 117.0 3.5 128.0 14.6 129.0 2.4 140.0 2.2 141.0 1.4 142.0 11.2 143.0 100.0 144.0 11.3
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C10 H9 N 0.024 g : 0.5 ml CDCl3 2-methylquinoline 
Assign. Shift(ppm)
A 8.02 B 7.75 C 7.67 D 7.47 E 7.265 F 2.739
Hz ppm Int.722.50 8.068 147 714.19 7.975 195 699.50 7.811 41 697.81 7.792 46 695.19 7.763 41 693.13 7.740 47 690.13 7.706 97 687.88 7.681 98 686.88 7.670 40 686.25 7.663 37 680.00 7.593 67 678.38 7.575 37 675.06 7.538 75 673.69 7.523 72 667.88 7.458 61 666.75 7.445 53 666.00 7.437 38 654.25 7.306 161 645.88 7.212 116 245.38 2.740 1000
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1H NMR 399.65 MHz C10 H9 N 24.5 mg : 0.5 ml CDCl3 2-methylquinoline Assign. Shift(ppm)
A 8.03 B 7.759 C 7.677 D 7.475 E 7.271 F 2.745
Hz ppm Int.3213.26 8.041 203 3212.77 8.039 202 3204.96 8.020 224 3204.47 8.019 218 3106.20 7.773 71 3104.49 7.769 82 3097.78 7.752 86 3096.31 7.748 88 3076.66 7.699 48 3075.32 7.696 44 3069.82 7.682 57 3068.36 7.678 103 3067.02 7.675 44 3061.40 7.661 48 3060.06 7.657 51 2994.75 7.494 58 2993.77 7.491 55 2987.79 7.477 55 2986.69 7.474 94 2985.47 7.471 55 2979.74 7.456 42 2978.52 7.453 41 2909.79 7.281 151 2901.37 7.260 138 1097.29 2.746 1000
in CDCl3
CCl4 solution
liquid film
