2,3-Dihydroxypyridine(16867-04-2) MS
Product Name2,3-Dihydroxypyridine
CAS16867-04-2
Molecular FormulaC5H5NO2
Molecular Weight111.1
InChIInChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
InChIKey GGOZGYRTNQBSSA-UHFFFAOYSA-N
SmilesC1(=O)NC=CC=C1O
-
MassMS-IW-4337 2,3-pyridinediol C5H5NO2 (Mass of molecular ion: 111)
Source Temperature: 140 °C Sample Temperature: 90 °C Direct, 75 eV
18.0 4.9 26.0 1.3 27.0 2.3 28.0 6.6 29.0 1.7 38.0 2.2 39.0 2.5 41.5 1.2 52.0 1.3 53.0 1.6 54.0 7.2 55.0 18.3 55.5 1.2 56.0 1.6 65.0 3.3 82.0 3.0 83.0 4.9 93.0 4.5 111.0 100.0 112.0 7.9
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C5 H5 N O2 0.039 g : 0.5 ml DMSO-d6 2,3-pyridinediol 
Assign. Shift(ppm)
A 11.8 B 9.03 C 6.882 D 6.739 E 6.093
Hz ppm Int.4697.67 11.755 152 3608.56 9.030 152 2754.82 6.894 679 2752.99 6.889 771 2748.23 6.877 748 2746.40 6.873 776 2697.86 6.751 760 2696.21 6.747 772 2690.72 6.733 821 2689.07 6.729 787 2441.79 6.110 740 2435.20 6.094 955 2434.83 6.093 1000 2428.06 6.076 659
in DMSO-d6
KBr disc
liquid film
nujol mull
