1003-73-2

3-甲基吡啶氧化物(1003-73-2)质谱(MS)

产品名称:3-甲基吡啶氧化物

CAS:1003-73-2

分子式:C6H7NO

分子量: 109.13

InChI:InChI=1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

InChIKey: DMGGLIWGZFZLIY-UHFFFAOYSA-N

Smiles:C1[N+]([O-])=CC=CC=1C

Mass

MS-NW-1345          
3-methylpyridine N-oxide
C6H7NO              (Mass of molecular ion:    109)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.5
      17.0       1.3
      18.0       6.5
      26.0       3.1
      27.0      13.5
      28.0       7.6
      29.0       2.0
      30.0       1.6
      37.0       4.3
      38.0       9.1
      39.0      50.4
      40.0      10.7
      41.0       6.0
      42.0       2.9
      43.0       9.1
      44.0       2.7
      45.0       2.0
      50.0       7.1
      51.0      12.7
      52.0       7.7
      53.0      34.6
      54.0      17.8
      54.5       1.0
      55.0       2.6
      60.0       1.7
      61.0       2.1
      62.0       3.5
      63.0       7.5
      64.0       3.3
      65.0      21.9
      66.0      23.6
      67.0       6.5
      77.0       4.8
      78.0       4.6
      80.0      12.6
      81.0      11.8
      82.0       5.1
      92.0      17.8
      93.0      53.7
      94.0       3.7
     109.0     100.0
     110.0       7.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₇ N O	0.04 ml : 0.5 ml CDCl₃
3-methylpyridine N-oxide

    Assign.     Shift(ppm)

      A             8.10
      B             8.07
      C             7.20
      D             7.11
      E             2.33

     Hz     ppm     Int.

    726.81   8.116    184
    726.06   8.107    206
    725.06   8.096    268
    724.50   8.090    270
    722.75   8.071    150
    722.00   8.062    104
    720.63   8.047    106
    720.00   8.040    107
    718.88   8.027     53
    718.25   8.020     44
    654.25   7.306     41
    646.50   7.219    151
    644.88   7.201     91
    642.75   7.177    112
    642.13   7.170    153
    640.25   7.149    310
    211.44   2.361     31
    208.75   2.331    939
    208.31   2.326   1000

in CDCl3