5-CHLORO-2-NITROANISOLE(6627-53-8) IR1
Product Name5-CHLORO-2-NITROANISOLE
CAS6627-53-8
Molecular FormulaC7H6ClNO3
Molecular Weight187.58
InChIInChI=1S/C7H6ClNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3
InChIKey ABEUJUYEUCCZQF-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)=CC=C(Cl)C=C1OC
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MassMS-NW-6851 5-chloro-2-nitroanisole C7H6ClNO3 (Mass of molecular ion: 187)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 5.6 18.0 2.2 26.0 1.3 27.0 1.6 28.0 5.4 29.0 3.7 30.0 10.8 31.0 7.9 36.0 1.9 37.0 6.1 38.0 6.7 39.0 5.0 44.0 1.3 46.0 1.2 49.0 2.7 50.0 13.0 51.0 13.4 52.0 2.6 53.0 6.2 55.0 1.0 59.0 1.1 60.0 2.5 61.0 8.0 62.0 17.0 63.0 57.9 64.0 4.6 65.0 14.3 66.0 2.1 72.0 2.3 73.0 7.2 74.0 12.1 75.0 42.2 76.0 14.9 77.0 12.5 78.0 11.2 79.0 10.3 80.0 1.1 84.0 2.3 85.0 4.1 86.0 3.9 87.0 2.4 88.0 1.6 90.0 1.2 91.0 2.9 92.0 1.1 93.0 11.1 94.0 8.2 97.0 2.5 98.0 21.5 99.0 18.1 100.0 8.1 101.0 6.3 110.0 4.2 111.0 55.0 112.0 16.9 113.0 23.6 114.0 12.4 115.0 2.7 116.0 2.5 125.0 1.2 126.0 50.4 127.0 13.4 128.0 18.8 129.0 26.3 130.0 3.0 131.0 7.6 132.0 1.0 136.0 1.0 139.0 1.6 140.0 100.0 141.0 7.7 142.0 35.2 143.0 3.0 144.0 1.0 153.0 1.0 157.0 34.3 158.0 6.3 159.0 11.3 160.0 2.0 170.0 1.2 171.0 1.2 183.0 1.2 187.0 72.6 188.0 6.3 189.0 24.7 190.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 Cl N O3 0.040 g : 0.5 ml CDCl3 5-chloro-2-nitroanisole 
Assign. Shift(ppm)
A 7.841 B 7.090 C 7.019 D 3.974
Hz ppm Int.3138.31 7.853 179 3129.64 7.831 187 2834.72 7.094 205 2833.01 7.089 218 2810.18 7.032 126 2808.59 7.028 115 2801.39 7.010 119 2799.80 7.006 108 1588.26 3.975 1000 1579.96 3.954 39
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
