3-Pyridinol N-oxide(6602-28-4) 1H NMR
Product Name3-Pyridinol N-oxide
CAS6602-28-4
Molecular FormulaC5H5NO2
Molecular Weight111.1
InChIInChI=1S/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7H
InChIKey YMEZKRMAPQIBQH-UHFFFAOYSA-N
SmilesC1[N+]([O-])=CC=CC=1O
-
MassMS-NW-1994 3-pyridinol N-oxide C5H5NO2 (Mass of molecular ion: 111)
Source Temperature: 170 °C Sample Temperature: 200 °C Direct, 75 eV
14.0 1.5 17.0 3.9 18.0 19.7 20.0 1.7 25.0 1.5 26.0 9.3 27.0 15.7 28.0 21.3 29.0 8.5 30.0 3.8 32.5 1.1 36.0 1.0 37.0 7.4 38.0 16.5 39.0 46.1 40.0 18.3 41.0 16.9 42.0 7.4 43.0 3.0 44.0 8.2 45.0 1.4 49.0 1.8 50.0 5.7 51.0 6.8 52.0 4.9 53.0 5.1 54.0 8.8 55.0 39.3 55.5 1.0 56.0 7.0 57.0 2.2 58.0 2.4 62.0 1.2 63.0 1.8 64.0 1.5 65.0 2.3 66.0 7.2 67.0 13.5 68.0 14.3 69.0 1.9 71.0 1.4 76.0 1.3 77.0 1.2 81.0 1.3 82.0 5.4 83.0 1.3 84.0 7.4 94.0 6.6 95.0 100.0 96.0 6.1 106.0 1.1 109.0 1.4 111.0 91.9 112.0 5.6
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C5 H5 N O2 0.038 g : 0.5 ml DMSO-d6 3-pyridinol N-oxide 
Assign. Shift(ppm)
A 10.8 B 7.824 C 7.802 D 7.257 E 6.878
Hz ppm Int.4319.80 10.809 116 3129.03 7.830 517 3127.20 7.825 1000 3125.37 7.821 758 3122.44 7.813 538 3121.71 7.812 589 3120.79 7.809 402 3120.06 7.807 333 3116.21 7.798 537 3115.48 7.796 542 3114.56 7.794 456 3113.83 7.792 388 2907.95 7.277 460 2905.20 7.270 36 2904.65 7.268 38 2901.72 7.261 463 2899.53 7.256 525 2896.05 7.247 37 2893.30 7.240 478 2754.46 6.893 457 2753.54 6.890 476 2752.26 6.887 471 2751.53 6.885 441 2745.85 6.871 421 2745.12 6.869 420 2743.65 6.866 431 2742.92 6.864 394
in DMSO-d6
KBr disc
nujol mull
