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3-Pyridinecarboxaldehyde

Product Name 3-Pyridinecarboxaldehyde

CAS500-22-1

MFC6H5NO

MW107.11

¹³CNMR

Mass

MS-NW-2726          
nicotinaldehyde
C6H5NO              (Mass of molecular ion:    107)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       5.2
      27.0       3.1
      28.0       3.5
      29.0       5.2
      37.0       2.7
      38.0       3.4
      39.0       4.4
      49.0       3.8
      50.0      19.5
      51.0      45.0
      52.0      28.5
      53.0       5.0
      62.0       1.0
      63.0       1.2
      75.0       1.6
      76.0       1.9
      77.0       1.8
      78.0      74.4
      79.0       7.8
     106.0      50.2
     107.0     100.0
     108.0       7.2

parameter in DMSO-d6

90 MHz in CDCl3

¹H NMR	300 MHz
C₆ H₅ N O	30 % in DMSO
nicotinaldehyde

    Parameter     ppm  Hz

      D(A)         9.04
      D(B)         8.17
      D(C)         7.50
      D(D)         8.79
       J(A,B)          2.1
       J(A,C)          0.8
       J(A,D)          0.5
       J(B,C)          8.1
       J(B,D)          1.8
       J(C,D)          5.0
     
      D(E)        10.14
     
     BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
     66, 159 (1962)

     Hz     ppm     Int.

   3041.99  10.140   1000
   2713.02   9.043    351
   2711.04   9.037    359
   2640.35   8.801    219
   2638.70   8.796    227
   2635.38   8.785    233
   2633.73   8.779    228
   2457.08   8.190    140
   2455.12   8.184    237
   2453.19   8.177    139
   2448.97   8.163    155
   2447.04   8.157    256
   2445.09   8.150    147
   2256.77   7.523    175
   2256.14   7.520    175
   2251.78   7.506    176
   2251.13   7.504    178
   2248.69   7.496    170
   2248.04   7.493    167
   2243.68   7.479    158
   2243.05   7.477    157

¹H NMR	89.56 MHz
C₆ H₅ N O	0.05 ml : 0.5 ml CDCl₃
nicotinaldehyde

    Assign.     Shift(ppm)

      A            10.15
      B             9.11
      C             8.87
      D             8.20
      E             7.53

     Hz     ppm     Int.

    909.38  10.154   1000
    908.94  10.149    934
    817.02   9.123    290
    816.21   9.114    305
    814.89   9.099    324
    814.09   9.090    308
    797.39   8.904    252
    795.56   8.883    275
    792.55   8.850    274
    790.72   8.829    292
    740.33   8.267    245
    738.50   8.246    303
    736.38   8.223    228
    732.50   8.179    317
    730.66   8.159    384
    728.54   8.135    283
    680.49   7.599    198
    679.98   7.593    232
    679.61   7.589    222
    679.03   7.582    187
    675.66   7.545    184
    675.15   7.539    214
    674.78   7.535    204
    674.19   7.528    175
    672.58   7.510    160
    672.07   7.505    195
    671.70   7.501    182
    671.19   7.495    151
    667.75   7.456    142
    667.24   7.451    179
    666.87   7.447    171
    666.36   7.441    151

in CDCl3

liquid film

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