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500-22-1

3-吡啶甲醛(500-22-1)红外图谱(IR1)

产品名称:3-吡啶甲醛

CAS:500-22-1

分子式:C6H5NO

分子量: 107.11

InChI:InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H

InChIKey: QJZUKDFHGGYHMC-UHFFFAOYSA-N

Smiles:C1=NC=CC=C1C=O

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    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

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

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

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liquid film

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