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1121-60-4

吡啶-2-甲醛(1121-60-4)核磁图(1HNMR)

产品名称:吡啶-2-甲醛

CAS:1121-60-4

分子式:C6H5NO

分子量: 107.11

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

InChIKey: CSDSSGBPEUDDEE-UHFFFAOYSA-N

Smiles:C1(C=O)=NC=CC=C1

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    Mass

    MS-NW-0997          
    2-pyridinecarbaldehyde
    C6H5NO              (Mass of molecular ion:    107)
    

       Source Temperature: 250 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          18.0       1.3
          26.0       4.8
          27.0       5.1
          28.0       2.0
          29.0       3.9
          37.0       2.0
          38.0       2.6
          39.0       5.1
          49.0       2.6
          50.0      12.4
          51.0      30.8
          52.0      54.9
          53.0       6.4
          75.0       1.8
          76.0       2.1
          77.0       1.0
          78.0      34.7
          79.0     100.0
          80.0       5.9
         107.0      20.1
         108.0       1.5
    

90 MHz in CDCl3

parameter in DMSO-d6

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    1H NMR 89.56 MHz
    C6 H5 N O 0.02 ml : 0.5 ml CDCl3
    2-pyridinecarbaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.09 B 8.80 C 7.96 D 7.88 E 7.541

         Hz     ppm     Int.
    

        904.00  10.094   1000
        903.31  10.087    998
        790.88   8.831    188
        789.38   8.814    136
        786.19   8.779    167
        785.88   8.775    157
        713.63   7.969    348
        712.56   7.957    404
        711.81   7.948    281
        711.25   7.942    588
        710.25   7.931    438
        706.81   7.893    227
        706.13   7.885    235
        705.19   7.874    229
        704.50   7.867    217
        681.31   7.608    308
        678.94   7.581    225
        676.56   7.555    289
        674.75   7.535    191
        674.31   7.530    233
        672.38   7.508    174
        669.88   7.480    154
        667.63   7.455    167
    

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    1H NMR 300 MHz
    C6 H5 N O 30 % in DMSO
    2-pyridinecarbaldehyde
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 9.03 D(B) 7.88 D(C) 8.17 D(D) 8.31 D(E) 10.24 J(A,B) 4.6 J(A,C) 1.8 J(A,D) 1.0 J(A,E) 0.0 J(B,C) 7.7 J(B,D) 1.3 J(B,E) 0.0 J(C,D) 8.3 J(C,E) 0.0 J(D,E) 0.3 BRUEGEL,W. Z.ELEKTROCHEM.BER.BUNSENGES.PHYS.CHEM. 66, 159 (1962)

         Hz     ppm     Int.
    

       3072.01  10.240   1000
       2712.67   9.042    179
       2711.68   9.039    215
       2710.97   9.037    218
       2709.95   9.033    194
       2708.08   9.027    197
       2707.10   9.024    224
       2706.40   9.021    221
       2705.38   9.018    186
       2497.55   8.325    224
       2496.53   8.322    151
       2490.28   8.301    218
       2489.27   8.298    330
       2459.63   8.199    165
       2457.86   8.193    165
       2451.90   8.173    234
       2450.16   8.167    239
       2443.68   8.146    135
       2441.92   8.140    132
       2370.61   7.902    173
       2369.28   7.898    173
       2366.01   7.887    175
       2364.68   7.882    179
       2362.96   7.877    161
       2361.62   7.872    150
       2358.36   7.861    145
       2357.02   7.857    140
    

in CDCl3

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liquid film

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