3-HYDROXY-6-METHYL-2-NITROPYRIDINE(15128-90-2) MS

Product Name3-HYDROXY-6-METHYL-2-NITROPYRIDINE

CAS 15128-90-2

Molecular FormulaC6H6N2O3

Molecular Weight154.12

InChIInChI=1S/C6H6N2O3/c1-4-2-3-5(9)6(7-4)8(10)11/h2-3,9H,1H3

InChIKey WZMGQHIBXUAYGS-UHFFFAOYSA-N

SmilesC1([N+]([O-])=O)=NC(C)=CC=C1O

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Mass

MS-IW-0939          
6-methyl-2-nitro-3-pyridinol
C6H6N2O3            (Mass of molecular ion:    154)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      17.0       1.5
      18.0       8.8
      26.0       2.6
      27.0       9.7
      28.0       6.7
      29.0       1.1
      30.0       2.0
      37.0       1.0
      38.0       1.8
      39.0       7.5
      40.0       1.1
      41.0       1.5
      42.0       1.4
      43.0       6.0
      50.0       2.7
      51.0       8.6
      52.0      35.7
      53.0      48.8
      54.0       5.7
      55.0       3.1
      63.0       1.5
      64.0       2.0
      66.0       2.4
      67.0       1.0
      68.0       1.2
      78.0       5.0
      79.0      19.7
      80.0      19.3
      81.0       4.4
      96.0       8.3
     106.0       4.9
     107.0      24.5
     108.0     100.0
     109.0       7.4
     110.0       1.6
     124.0       1.2
     154.0      58.0
     155.0       5.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₆ N₂ O₃	0.040 g : 0.5 ml CDCl₃
6-methyl-2-nitro-3-pyridinol

    Assign.     Shift(ppm)

      A            10.13
      B             7.555
      C             7.501
      D             2.592

     Hz     ppm     Int.

   4046.94  10.127    205
   3025.05   7.570    131
   3016.66   7.549    263
   3013.76   7.542     21
   3000.95   7.509    239
   2992.40   7.488    122
   1036.07   2.593   1000

in CDCl3