1073-23-0

2,6-二甲基吡啶 N-氧化物(1073-23-0)ESR图谱

产品名称:2,6-二甲基吡啶 N-氧化物

CAS:1073-23-0

分子式:C7H9NO

分子量: 123.15

InChI:InChI=1S/C7H9NO/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3

InChIKey: LIDGFHXPUOJZMK-UHFFFAOYSA-N

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

Mass

MS-NW-0704          
2,6-dimethylpyridine 1-oxide
C7H9NO              (Mass of molecular ion:    123)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       1.4
      18.0       4.0
      26.0       1.5
      27.0       8.3
      28.0       7.3
      32.0       1.6
      37.0       1.8
      38.0       4.9
      39.0      26.4
      40.0       4.0
      41.0       4.8
      42.0       3.1
      50.0       4.7
      51.0       9.2
      52.0       4.8
      52.5       1.0
      53.0       8.8
      54.0       1.6
      61.0       1.3
      62.0       3.0
      63.0       7.3
      64.0       3.6
      65.0      16.9
      66.0      10.4
      67.0       2.0
      77.0      26.8
      78.0       6.3
      79.0      62.3
      80.0       6.6
      89.0       2.3
      91.0       3.8
      92.0       7.8
      93.0       2.4
      94.0       1.5
     104.0       1.9
     105.0       1.0
     106.0     100.0
     107.0      27.2
     108.0       2.3
     123.0      87.4
     124.0       7.2

parameter in CCl4

90 MHz in CDCl3

¹H NMR	300 MHz
C₇ H₉ N O	in CCl₄
2,6-lutidine 1-oxide

    Parameter     ppm  Hz

      D(A)         7.17
      D(B)         6.92
       J(A,B)          8.0
     
      D(C)         2.41
     
     ABRAMOVITCH,R.A. & DAVIS,J.B. J.CHEM.SOC.B 1966, 1137

     Hz     ppm     Int.

   2155.11   7.184    369
   2147.22   7.157    523
   2083.54   6.945    178
   2076.01   6.920    169
   2075.21   6.917    165
   2067.64   6.892    117
    723.00   2.410   1000

¹H NMR	89.56 MHz
C₇ H₉ N O	0.04 ml : 0.5 ml CDCl₃
2,6-dimethylpyridine 1-oxide

    Assign.     Shift(ppm)

      A             7.13
      B             7.12
      C             2.54

     Hz     ppm     Int.

    642.31   7.172     26
    641.44   7.163     25
    638.63   7.131    216
    637.31   7.117    248
    633.81   7.077     49
    226.81   2.533   1000

in CDCl3