5,6-DICHLORO-3-PYRIDINEMETHANOL(54127-30-9) IR2
Product Name5,6-DICHLORO-3-PYRIDINEMETHANOL
CAS54127-30-9
Molecular FormulaC6H5Cl2NO
Molecular Weight178.02
InChIInChI=1S/C6H5Cl2NO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2
InChIKey ZOFUUOULXZPZHP-UHFFFAOYSA-N
SmilesC1=NC(Cl)=C(Cl)C=C1CO
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MassMS-IW-8669 (5,6-dichloro-3-pyridyl)methanol C6H5Cl2NO (Mass of molecular ion: 177)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.3 26.0 1.5 27.0 3.1 28.0 7.4 29.0 7.8 31.0 12.9 32.0 1.2 36.0 2.9 37.0 3.1 38.0 3.8 39.0 4.1 41.0 1.1 43.0 1.0 47.0 1.5 48.0 1.9 49.0 5.2 50.0 12.1 51.0 17.2 52.0 4.5 53.0 2.5 55.0 3.4 56.5 1.0 57.0 1.3 60.0 2.5 61.0 4.1 62.0 5.7 63.0 4.5 64.0 1.8 69.0 1.2 70.5 2.5 72.0 2.4 73.0 5.4 74.0 2.1 75.0 6.9 76.0 22.1 77.0 3.0 78.0 23.3 79.0 3.2 83.0 1.2 84.0 5.8 85.0 11.7 86.0 5.1 87.0 10.2 88.0 3.7 89.0 3.5 90.0 1.2 91.0 1.8 92.0 1.1 96.0 1.1 97.0 4.6 98.0 1.4 99.0 2.7 105.0 1.4 106.0 15.1 107.0 3.1 109.0 2.1 110.0 7.1 111.0 2.5 112.0 77.7 113.0 12.8 114.0 35.3 115.0 11.4 116.0 4.2 117.0 2.4 119.0 1.5 121.0 2.3 123.0 1.2 124.0 12.9 125.0 4.3 126.0 4.8 127.0 1.4 133.0 3.2 134.0 1.0 135.0 2.6 140.0 6.4 141.0 3.4 142.0 37.6 143.0 3.7 144.0 11.7 146.0 6.0 147.0 5.0 148.0 100.0 149.0 9.4 150.0 62.6 151.0 4.5 152.0 10.1 159.0 6.4 160.0 9.5 161.0 5.4 162.0 6.2 163.0 1.4 164.0 1.2 174.0 4.9 175.0 2.5 176.0 56.7 177.0 87.2 178.0 42.0 179.0 55.7 180.0 10.2 181.0 9.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H5 Cl2 N O 0.039 g : 0.5 ml CDCl3 (5,6-dichloro-3-pyridyl)methanol 
Assign. Shift(ppm)
A 8.218 B 7.835 C 4.728 D 3.38
Hz ppm Int.3285.40 8.221 414 3284.79 8.220 294 3284.06 8.218 296 3283.33 8.216 419 3133.06 7.840 280 3132.32 7.838 486 3131.59 7.836 308 3130.98 7.835 305 3130.25 7.833 462 3129.52 7.831 254 1889.65 4.729 1000 1351.56 3.382 44
in CDCl3
KBr disc
nujol mull
