6-ISOPROPYLQUINOLINE(135-79-5) MS
Product Name6-ISOPROPYLQUINOLINE
CAS135-79-5
Molecular FormulaC12H13N
Molecular Weight171.24
InChIInChI=1S/C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9H,1-2H3
InChIKey NKCQEIXYLHACJC-UHFFFAOYSA-N
SmilesN1C2C(=CC(C(C)C)=CC=2)C=CC=1
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MassMS2015-05134CW 6-isopropylquinoline C12H13N (Mass of molecular ion: 171)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
51.0 1.8 63.0 2.1 65.0 1.3 71.5 1.2 75.0 1.4 76.0 1.2 77.0 5.3 77.5 3.2 101.0 2.1 102.0 2.3 103.0 1.5 115.0 1.2 117.0 1.1 126.0 1.3 127.0 4.5 128.0 7.2 129.0 4.7 130.0 4.4 141.0 1.4 142.0 2.1 154.0 12.7 155.0 6.8 156.0 100.0 157.0 12.1 167.0 1.0 168.0 1.1 170.0 2.9 171.0 32.7 172.0 5.1
in DMSO-d6
400 MHz in CDCl3
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1H NMR 399.65 MHz C12H13N 0.05 ml : 0.5 ml CDCl3 6-isopropylquinoline 
Assign. Shift(ppm)
A 8.833 B 8.053 C 8.039 D 7.597 E 7.562 F 7.295 G 3.055 J 1.319
Hz ppm Int.3534.06 8.840 119 3532.35 8.836 121 3529.79 8.830 122 3528.08 8.825 119 3223.88 8.065 130 3218.14 8.050 91 3215.34 8.043 150 3210.45 8.031 83 3209.72 8.029 79 3208.87 8.027 83 3042.24 7.610 96 3040.17 7.605 114 3033.45 7.588 83 3031.50 7.583 114 3023.81 7.564 160 3021.86 7.559 124 2922.25 7.310 129 2917.97 7.299 124 2913.95 7.289 114 2909.67 7.279 106 1228.03 3.072 61 1221.07 3.055 80 1214.24 3.038 62 530.64 1.328 1000 523.69 1.310 969
in CDCl3
in DMSO-d6
Liquid film
