6-Bromoquinoline(5332-25-2) IR1
Product Name6-Bromoquinoline
CAS5332-25-2
Molecular FormulaC9H6BrN
Molecular Weight208.05
InChIInChI=1S/C9H6BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
InChIKey IFIHYLCUKYCKRH-UHFFFAOYSA-N
SmilesN1C2C(=CC(Br)=CC=2)C=CC=1
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MassMS-NW-6112 6-bromoquinoline C9H6BrN (Mass of molecular ion: 207)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 2.4 26.0 1.3 27.0 1.5 28.0 1.4 37.0 2.5 38.0 3.8 39.0 2.8 49.0 2.5 49.5 1.4 50.0 18.2 50.5 2.2 51.0 13.3 52.0 2.7 61.0 2.6 62.0 5.0 63.0 5.3 63.5 2.0 64.0 15.0 64.5 1.4 65.0 2.2 73.0 2.0 74.0 12.3 75.0 18.5 76.0 5.4 77.0 12.2 78.0 1.9 86.0 1.1 87.0 1.3 88.0 1.0 90.0 4.4 91.0 4.6 92.0 1.6 98.0 2.7 99.0 4.7 100.0 7.1 101.0 25.0 102.0 10.2 103.5 4.8 104.5 4.8 127.0 7.4 128.0 78.0 129.0 8.6 143.0 1.0 171.0 2.6 173.0 2.5 180.0 1.6 181.0 1.1 182.0 1.6 206.0 1.5 207.0 100.0 208.0 11.4 209.0 98.2 210.0 10.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H6 Br N 0.05 ml : 0.5 ml CDCl3 6-bromoquinoline 
Assign. Shift(ppm)
A 8.866 B 7.939 C 7.927 D 7.855 E 7.703 F 7.326
Hz ppm Int.3546.39 8.874 617 3544.56 8.870 629 3542.11 8.864 631 3540.41 8.859 620 3177.86 7.952 461 3176.88 7.950 418 3176.15 7.948 440 3172.97 7.940 737 3169.80 7.932 483 3168.09 7.928 468 3164.06 7.918 834 3140.38 7.858 957 3138.18 7.853 1000 3083.62 7.716 791 3081.42 7.711 740 3074.71 7.694 619 3072.51 7.689 584 2934.33 7.343 610 2930.05 7.332 607 2926.03 7.322 618 2921.75 7.311 616
in CDCl3
liquid film
