2,3-Dichlorophenyl isocyanate(41195-90-8) 1H NMR
Product Name2,3-Dichlorophenyl isocyanate
CAS41195-90-8
Molecular FormulaC7H3Cl2NO
Molecular Weight188.01
InChIInChI=1S/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H
InChIKey FYWJWWMKCARWQG-UHFFFAOYSA-N
SmilesC1(Cl)=CC=CC(N=C=O)=C1Cl
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MassMS-IW-3730 2,3-dichlorophenyl isocyanate C7H3Cl2NO (Mass of molecular ion: 187)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
28.0 1.6 36.0 2.2 37.0 5.4 38.0 4.7 39.0 3.1 44.0 1.3 44.5 2.2 47.0 2.5 48.0 1.9 49.0 5.1 50.0 3.1 51.0 2.0 60.0 1.6 61.0 5.9 61.5 2.3 62.0 8.5 63.0 6.0 64.0 3.4 72.0 3.3 73.0 8.5 74.0 4.5 75.0 4.2 79.5 3.9 80.5 2.6 84.0 2.8 85.0 1.4 86.0 2.0 87.0 3.0 88.0 8.6 89.0 1.8 93.5 5.5 94.5 3.5 96.0 1.1 97.0 8.3 98.0 4.8 99.0 3.1 100.0 1.7 109.0 1.6 123.0 1.2 124.0 59.7 125.0 4.5 126.0 19.3 127.0 1.3 159.0 22.0 160.0 2.0 161.0 14.1 162.0 1.0 163.0 2.2 187.0 100.0 188.0 8.1 189.0 64.4 190.0 5.2 191.0 10.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H3 Cl2 N O 0.05 ml : 0.5 ml CDCl3 2,3-dichlorophenyl isocyanate 
Assign. Shift(ppm)
A 7.257 B 7.114 C 6.999
Hz ppm Int.2905.64 7.271 521 2904.05 7.267 531 2901.86 7.262 35 2900.15 7.257 34 2897.46 7.250 672 2895.87 7.247 665 2851.44 7.135 568 2849.49 7.130 34 2849.00 7.129 37 2843.38 7.115 1000 2835.33 7.095 586 2801.39 7.010 663 2799.80 7.006 654 2793.33 6.990 497 2791.75 6.986 484 2789.31 6.980 32
in CDCl3
liquid film
