5-CHLORO-2 3-PYRIDINEDIOL 95(53233-89-9) IR2
Product Name5-CHLORO-2 3-PYRIDINEDIOL 95
CAS53233-89-9
Molecular FormulaC5H4ClNO2
Molecular Weight145.54
InChIInChI=1S/C5H4ClNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)
InChIKey AJGLCXBDYCEVIE-UHFFFAOYSA-N
SmilesC1(=O)NC=C(Cl)C=C1O
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MassMS-IW-4111 5-chloro-2,3-pyridinediol C5H4ClNO2 (Mass of molecular ion: 145)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 3.2 26.0 2.1 27.0 1.6 28.0 10.8 29.0 2.3 36.0 1.3 37.0 2.4 38.0 3.3 39.0 1.4 44.0 1.4 51.0 2.1 52.0 5.2 53.0 6.0 54.0 37.4 55.0 5.1 58.5 3.3 59.5 1.0 60.0 1.7 61.0 3.2 62.0 2.1 63.0 1.6 64.0 2.9 72.5 1.8 73.0 1.8 80.0 2.8 82.0 3.4 88.0 1.4 89.0 16.3 90.0 1.4 91.0 5.2 92.0 3.5 116.0 4.0 117.0 12.9 118.0 2.0 119.0 4.2 145.0 100.0 146.0 7.0 147.0 32.7 148.0 2.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H4 Cl N O2 0.031 g : 0.5 ml DMSO-d6 5-chloro-2,3-pyridinediol 
Assign. Shift(ppm)
A *1 11.9 B *1 9.7 C 7.061 D 6.754
Hz ppm Int.2823.33 7.065 814 2820.58 7.058 805 2816.92 7.049 23 2700.79 6.758 1000 2698.23 6.752 852
in DMSO-d6
KBr disc
nujol mull
