4-Chloroindole(25235-85-2) 13C NMR
Product Name4-Chloroindole
CAS25235-85-2
Molecular FormulaC8H6ClN
Molecular Weight151.59
InChIInChI=1S/C8H6ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H
InChIKey SVLZRCRXNHITBY-UHFFFAOYSA-N
SmilesN1C2=C(C(Cl)=CC=C2)C=C1
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MassMS-IW-1275 4-chloroindole C8H6ClN (Mass of molecular ion: 151)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
39.0 1.4 57.5 3.6 61.0 1.3 62.0 3.9 63.0 5.3 64.0 1.0 73.0 1.3 75.0 1.1 75.5 7.2 76.0 1.1 76.5 2.2 86.0 1.3 87.0 2.4 88.0 2.7 89.0 22.6 90.0 2.4 114.0 2.4 115.0 4.9 116.0 16.7 117.0 1.6 123.0 4.3 124.0 12.5 125.0 2.4 126.0 4.1 150.0 3.8 151.0 100.0 152.0 10.3 153.0 32.1 154.0 3.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H6 Cl N 0.05 ml : 0.5 ml CDCl3 4-chloroindole 
Assign. Shift(ppm)
A 7.90 B 7.10 C 7.030 D 7.004 E 6.601
Hz ppm Int.3157.71 7.902 69 2844.60 7.118 304 2843.63 7.116 430 2842.65 7.113 241 2840.94 7.109 392 2839.84 7.106 528 2836.79 7.099 328 2835.69 7.096 641 2834.84 7.094 626 2833.25 7.090 1000 2832.15 7.087 405 2830.08 7.082 159 2817.38 7.050 641 2812.99 7.039 65 2812.26 7.037 85 2809.57 7.031 584 2807.01 7.024 55 2806.52 7.023 53 2801.88 7.011 627 2799.32 7.005 498 2798.83 7.004 499 2796.26 6.997 420 2792.24 6.987 32 2641.48 6.610 327 2640.63 6.608 302 2639.28 6.604 369 2638.31 6.602 520 2637.33 6.600 322 2635.99 6.596 329 2635.13 6.594 299
in CDCl3
liquid film
