5-Bromoindole(10075-50-0) IR1
Product Name5-Bromoindole
CAS10075-50-0
Molecular FormulaC8H6BrN
Molecular Weight196.04
InChIInChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKey VXWVFZFZYXOBTA-UHFFFAOYSA-N
SmilesN1C2=C(C=C(Br)C=C2)C=C1
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MassMS-IW-7699 5-bromoindole C8H6BrN (Mass of molecular ion: 195)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.6 37.0 1.1 38.0 1.9 39.0 3.2 43.0 1.1 44.0 1.2 50.0 2.3 51.0 1.5 52.0 1.2 57.5 9.8 58.0 10.7 61.0 2.4 62.0 7.0 63.0 10.3 64.0 2.0 65.0 1.5 74.0 1.2 75.0 1.1 85.0 1.4 86.0 2.5 87.0 3.9 88.0 6.6 89.0 28.2 90.0 3.5 97.0 9.4 97.5 1.1 98.0 9.5 98.5 1.1 99.0 1.0 114.0 3.0 115.0 11.6 116.0 86.1 117.0 8.2 167.0 1.4 168.0 1.2 169.0 1.5 170.0 1.2 194.0 2.6 195.0 100.0 196.0 11.7 197.0 97.3 198.0 9.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H6 Br N 0.041 g : 0.5 ml CDCl3 5-bromoindole 
Assign. Shift(ppm)
A 8.1 B 7.758 C 7.254 D 7.204 E 7.147 F 6.470
Hz ppm Int.3226.07 8.073 73 3101.81 7.762 807 3100.59 7.759 668 3099.85 7.757 841 3099.24 7.755 538 2906.13 7.272 363 2904.30 7.268 357 2903.93 7.267 331 2897.58 7.251 743 2897.22 7.250 747 2895.63 7.246 768 2892.94 7.239 32 2882.57 7.213 787 2881.84 7.211 1000 2881.10 7.210 722 2877.44 7.200 32 2876.59 7.198 35 2874.02 7.192 335 2873.29 7.190 461 2872.44 7.188 335 2859.38 7.155 521 2856.57 7.148 687 2853.76 7.141 524 2588.75 6.478 416 2587.89 6.476 449 2586.67 6.473 470 2585.69 6.470 675 2584.59 6.468 462 2583.50 6.465 440 2582.64 6.463 399
in CDCl3
KBr disc
nujol mull
