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108-89-4

4-甲基吡啶(108-89-4)核磁图(13CNMR)

产品名称:4-甲基吡啶

CAS:108-89-4

分子式:C6H7N

分子量: 93.13

InChI:InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3

InChIKey: FKNQCJSGGFJEIZ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0779          
    4-methylpyridine
    C6H7N               (Mass of molecular ion:     93)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       2.4
          27.0       2.9
          28.0       3.8
          37.0       2.8
          38.0       5.3
          39.0      19.3
          40.0       9.8
          41.0       3.0
          50.0       4.4
          51.0       7.8
          52.0       4.2
          53.0       5.6
          54.0       7.7
          61.0       1.2
          62.0       2.2
          63.0       5.0
          64.0       2.7
          65.0      19.4
          66.0      36.2
          67.0       8.9
          78.0       3.8
          92.0      23.1
          93.0     100.0
          94.0       7.2
    

parameter in DMSO-d6

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 300 MHz
    C6 H7 N 30 % in DMSO
    4-methylpyridine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.60 D(B) 7.28 D(C) 2.32 J(A,A') 0.4 J(A,B) 5.2 J(A,B') 0.8 J(A,C) 0.0 J(A',B) 0.8 J(A',B') 5.2 J(A',C) 0.0 J(B,B') 1.7 J(B,C) 0.7 J(B',C) 0.7 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)

         Hz     ppm     Int.
    

       2583.01   8.610    970
       2581.61   8.605    596
       2578.51   8.595    599
       2577.05   8.590   1000
       2187.22   7.291    737
       2186.75   7.289    751
       2181.27   7.271    730
       2180.80   7.269    716
        696.04   2.320    987
    

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    1H NMR 399.65 MHz
    C6 H7 N 0.018 g : 0.5 ml CDCl3
    4-methylpyridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.463 B 7.104 C 2.349

         Hz     ppm     Int.
    

       3385.50   8.472    233
       3383.91   8.468    161
       3380.98   8.460    162
       3379.39   8.456    250
       2842.77   7.114    217
       2842.04   7.112    237
       2841.19   7.110    186
       2840.45   7.108    148
       2838.38   7.103    150
       2837.65   7.101    193
       2836.79   7.099    248
       2836.06   7.097    224
        938.60   2.349   1000
    

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    1H NMR 89.56 MHz
    C6 H7 N 0.018 g : 0.5 ml CDCl3
    4-methylpyridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.454 B 7.094 C 2.343

         Hz     ppm     Int.
    

        760.31   8.490    209
        758.75   8.472    138
        756.00   8.442    138
        754.31   8.423    237
        638.63   7.131    195
        637.94   7.124    222
        637.06   7.114    162
        636.38   7.106    127
        634.94   7.090     60
        634.31   7.083    115
        633.50   7.074    149
        632.69   7.065    203
        632.00   7.057    191
        209.81   2.343   1000
    

in CDCl3

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CCl4 solution

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liquid film

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X-IRRAD. OF ADAMANTANE RECRYST. FROM 4-PICOLINE

ANION RADICAL, ELECTROLYSIS IN LIQ. NH3

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