3-Pyridinol N-oxide(6602-28-4) IR1

Product Name3-Pyridinol N-oxide

CAS 6602-28-4

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

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3-Pyridinol N-oxide(6602-28-4) IR1
Mass

MS-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

3-Pyridinol N-oxide(6602-28-4) IR1

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