2,6-Dichloro-4-nitrophenol(618-80-4) IR3
Product Name2,6-Dichloro-4-nitrophenol
CAS618-80-4
Molecular FormulaC6H3Cl2NO3
Molecular Weight208
InChIInChI=1S/C6H3Cl2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChIKey PXSGFTWBZNPNIC-UHFFFAOYSA-N
SmilesC1(O)=C(Cl)C=C([N+]([O-])=O)C=C1Cl
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MassMS-NW-0246 2,6-dichloro-4-nitrophenol C6H3Cl2NO3 (Mass of molecular ion: 207)
Source Temperature: 180 °C Sample Temperature: 0 °C Direct, 75 eV
18.0 1.5 25.0 1.0 26.0 1.5 28.0 2.2 29.0 1.6 30.0 21.2 35.0 1.0 36.0 1.4 37.0 7.3 38.0 3.7 39.0 1.4 46.0 1.4 47.0 2.8 48.0 2.9 49.0 2.6 50.0 6.6 51.0 3.1 52.0 1.6 53.0 32.4 54.0 1.6 59.0 1.1 60.0 4.2 61.0 20.3 62.0 38.7 63.0 18.9 64.0 1.2 66.0 3.0 71.0 1.9 72.0 4.4 73.0 24.7 74.0 4.3 75.0 8.4 76.0 1.2 77.0 1.8 78.0 1.0 79.0 1.3 83.0 3.5 84.0 2.2 85.0 6.9 86.0 2.8 87.0 11.0 88.0 1.5 89.0 4.0 90.0 9.7 91.0 5.4 94.0 1.2 95.0 2.0 96.0 9.7 97.0 34.9 98.0 5.3 99.0 11.0 100.0 1.6 107.0 4.9 108.0 1.0 109.0 4.1 111.0 1.4 113.0 9.6 114.0 1.5 115.0 2.9 121.0 1.7 122.0 1.1 123.0 1.8 124.0 2.2 125.0 39.7 126.0 10.5 127.0 14.5 128.0 3.3 131.0 1.6 132.0 3.0 133.0 45.8 134.0 3.9 135.0 29.3 136.0 2.0 137.0 4.2 141.0 36.8 142.0 2.4 143.0 10.7 144.0 1.3 147.0 1.0 149.0 3.4 151.0 2.3 160.0 5.7 161.0 14.2 162.0 4.1 163.0 9.5 164.0 1.3 165.0 1.5 177.0 56.9 178.0 3.6 179.0 36.0 180.0 2.4 181.0 6.5 182.0 1.1 183.0 1.2 188.0 1.2 190.0 1.0 191.0 2.7 193.0 2.1 207.0 100.0 208.0 7.4 209.0 72.0 210.0 5.8 211.0 12.6 212.0 1.9 216.0 1.1 218.0 1.1 244.0 3.1 246.0 5.3 248.0 5.4 250.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H3 Cl2 N O3 0.044 g : 0.5 ml CDCl3 2,6-dichloro-4-nitrophenol 
Assign. Shift(ppm)
A 8.226 B 6.6
Hz ppm Int.736.75 8.227 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
