2-BROMOPHENYL ISOCYANATE(1592-00-3) 1H NMR
Product Name2-BROMOPHENYL ISOCYANATE
CAS1592-00-3
Molecular FormulaC7H4BrNO
Molecular Weight198.02
InChIInChI=1S/C7H4BrNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChIKey GOOVAYJIVMBWPP-UHFFFAOYSA-N
SmilesC1(Br)=CC=CC=C1N=C=O
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MassMS-NW-9670 o-bromophenyl isocyanate C7H4BrNO (Mass of molecular ion: 197)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.1 37.0 3.5 38.0 3.9 39.0 7.3 44.5 5.0 45.0 1.8 50.0 3.2 51.0 1.5 61.0 1.9 62.0 3.8 63.0 14.5 64.0 6.6 74.0 1.2 75.0 1.8 84.5 2.1 85.5 2.0 88.0 1.3 89.0 1.2 90.0 62.8 91.0 4.5 98.5 4.3 99.5 4.2 118.0 2.8 153.0 1.0 169.0 13.7 170.0 1.4 171.0 13.6 197.0 100.0 198.0 8.0 199.0 97.7 200.0 7.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H4 Br N O 0.05 ml : 0.5 ml CDCl3 o-bromophenyl isocyanate 
Assign. Shift(ppm)
A 7.516 B 7.213 C 7.077 D 7.016
Hz ppm Int.3008.91 7.529 846 3007.45 7.526 855 3003.30 7.515 52 3000.85 7.509 893 2999.39 7.506 911 2892.09 7.237 430 2890.63 7.233 429 2887.82 7.226 36 2884.64 7.218 678 2884.16 7.217 701 2883.30 7.215 773 2882.69 7.214 657 2879.64 7.206 55 2876.71 7.199 666 2875.24 7.195 647 2832.64 7.088 881 2830.93 7.084 1000 2827.03 7.074 64 2824.58 7.068 710 2823.00 7.064 753 2818.12 7.052 35 2812.26 7.037 636 2810.67 7.033 553 2804.81 7.019 660 2804.20 7.017 676 2803.22 7.015 626 2802.61 7.013 602 2799.44 7.005 45 2796.88 6.999 492 2795.17 6.995 452
in CDCl3
liquid film
