17282-41-6

N-丙酮基吡啶溴化物(17282-41-6)核磁图(¹HNMR)

产品名称:N-丙酮基吡啶溴化物

CAS:17282-41-6

分子式:C8H10BrNO

分子量: 216.08

InChI:InChI=1S/C8H10NO.BrH/c1-8(10)7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3;1H/q+1;/p-1

InChIKey: RBFIDROZWYVUGX-UHFFFAOYSA-M

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

Mass

MS-NW-7170          
1-acetonylpyridinium bromide
C8H10BrNO           (Mass of molecular ion:    215)

   Source Temperature: 230 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      14.0       2.0
      15.0       5.0
      25.0       1.4
      26.0       8.8
      27.0       8.7
      28.0       2.4
      29.0       4.4
      37.0       3.4
      38.0       3.9
      39.0       8.6
      40.0       1.0
      41.0       1.3
      42.0      11.7
      43.0     100.0
      44.0       2.4
      49.0       3.4
      50.0      15.0
      51.0      21.6
      52.0      48.9
      53.0       6.1
      65.0       4.1
      75.0       1.5
      76.0       1.2
      78.0       9.9
      79.0      79.9
      80.0       6.7
      81.0       3.8
      82.0       6.4
      92.0       1.0
      93.0       6.9
      95.0       6.3
     120.0       4.5
     121.0       1.6
     123.0       1.6
     134.0       1.9
     135.0       5.7
     136.0      10.0
     138.0       9.7

400 MHz in DMSO-d6

90 MHz in D2O

¹H NMR	399.65 MHz
C₈ H₁₀ Br N O	0.044 g : 0.5 ml DMSO-d₆
1-acetonylpyridinium bromide

    Assign.     Shift(ppm)

      A             9.011
      B             8.728
      C             8.274
      D             5.990
      E             2.352
     
     90MHZ : HSP-05-578 IN D2O

     Hz     ppm     Int.

   3605.50   9.022    133
   3604.28   9.019    157
   3598.94   9.006    163
   3597.56   9.002    135
   3497.47   8.752     29
   3496.09   8.748     50
   3494.87   8.745     28
   3489.53   8.732     57
   3488.31   8.729    106
   3486.94   8.725     53
   3481.75   8.712     36
   3480.53   8.709     60
   3479.16   8.706     31
   3313.75   8.292    116
   3307.04   8.275    140
   3305.97   8.273    133
   3300.93   8.260     47
   3299.26   8.256    101
   2393.95   5.991    460
    939.94   2.352   1000

¹H NMR	89.56 MHz
C₈ H₁₀ Br N O	0.045 g : 0.5 ml D₂O
1-acetonylpyridinium bromide

    Assign.     Shift(ppm)

      A             8.71
      B             8.68
      C             8.16
      D             4.724
      E             2.469
     
     400MHZ : HSP-43-865 IN DMSO-D6

     Hz     ppm     Int.

    784.50   8.760    113
    783.63   8.750     83
    781.75   8.729     55
    778.88   8.697    115
    778.00   8.687    104
    777.19   8.678    151
    771.00   8.609     53
    769.75   8.595     43
    737.75   8.238     60
    736.06   8.219     30
    731.56   8.169     67
    728.63   8.136     38
    724.06   8.085     34
    723.75   8.082     35
    423.25   4.726   1000
    221.31   2.472    870

in DMSO-d6

in D2O