3,5-DICHLORO-4,4'-DIHYDROXYDIPHENYLAMINE(2099-87-8) MS
Product Name3,5-DICHLORO-4,4'-DIHYDROXYDIPHENYLAMINE
CAS2099-87-8
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.11
InChIInChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H
InChIKey IFTGQCOAUCEONK-UHFFFAOYSA-N
SmilesC1(O)=C(Cl)C=C(NC2=CC=C(O)C=C2)C=C1Cl
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MassMS-NW-2463 2,6-dichloro-4-(4-hydroxyanilino)phenol C12H9Cl2NO2 (Mass of molecular ion: 269)
Source Temperature: 270 °C Sample Temperature: 210 °C Direct, 75 eV
18.0 4.6 26.0 1.7 27.0 5.7 28.0 2.7 29.0 2.3 31.0 1.1 35.0 1.2 36.0 8.8 37.0 1.7 38.0 4.3 39.0 21.2 40.0 1.8 50.0 5.2 51.0 7.7 52.0 11.7 53.0 11.9 54.0 1.9 55.0 4.0 57.5 1.5 61.0 3.5 62.0 8.5 63.0 13.7 64.0 5.4 65.0 17.8 66.0 3.6 70.5 6.8 71.0 1.9 72.0 1.6 73.0 4.1 74.0 2.0 75.0 2.8 76.0 6.5 76.5 1.5 77.0 2.6 78.0 3.1 79.0 2.8 80.0 3.5 81.0 8.8 82.0 6.0 84.5 2.3 85.0 12.7 85.5 2.9 86.0 2.0 87.0 2.5 87.5 1.0 88.0 4.2 89.0 3.8 90.0 2.8 91.0 2.5 93.0 5.8 93.5 1.1 94.0 5.8 97.0 4.4 98.0 1.4 99.0 2.9 99.5 13.7 100.0 2.5 102.0 2.2 102.5 3.3 103.0 1.1 103.5 1.0 107.0 1.8 108.0 8.2 109.0 1.4 112.0 2.7 113.0 2.4 114.0 3.8 115.0 7.6 116.0 2.8 116.5 4.8 117.0 6.0 117.5 2.1 118.0 2.7 119.0 2.9 120.0 7.3 123.0 1.7 125.0 2.3 126.0 1.3 127.0 1.0 133.0 1.7 134.5 1.2 135.0 1.2 140.0 5.8 141.0 4.6 142.0 3.4 143.0 2.2 144.0 8.2 145.0 1.7 149.0 1.8 150.0 1.6 151.0 1.9 152.0 3.0 153.0 1.9 154.0 1.9 162.0 1.1 168.0 2.0 169.0 7.2 170.0 31.8 171.0 6.6 175.0 1.4 176.0 2.2 177.0 1.8 178.0 4.2 179.0 2.2 180.0 2.0 182.0 1.0 183.0 1.5 187.0 3.5 188.0 4.5 189.0 2.7 190.0 1.8 198.0 10.6 199.0 15.2 200.0 2.2 203.0 1.3 204.0 34.7 205.0 9.0 206.0 13.2 207.0 5.4 208.0 1.1 213.0 1.7 214.0 2.0 215.0 1.4 216.0 2.5 217.0 2.7 218.0 1.0 219.0 1.4 232.0 5.0 233.0 12.7 234.0 6.8 235.0 7.9 236.0 2.1 237.0 1.4 238.0 1.1 240.0 2.3 242.0 1.3 267.0 5.2 268.0 7.2 269.0 100.0 270.0 17.2 271.0 62.1 272.0 9.1 273.0 10.2 274.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H9 Cl2 N O2 0.035 g : 0.5 ml DMSO-d6 2,6-dichloro-4-(4-hydroxyanilino)phenol 
Assign. Shift(ppm)
A 9. B 6.912 C 6.797 D 6.743
Hz ppm Int.2770.84 6.934 28 2767.49 6.925 252 2765.35 6.920 91 2760.93 6.909 99 2758.79 6.904 327 2755.43 6.895 37 2716.52 6.798 1000 2702.03 6.761 40 2698.82 6.753 329 2696.53 6.748 104 2692.11 6.737 91 2689.97 6.731 261 2686.61 6.723 28
KBr disc
nujol mull
