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3-Picoline

Product Name 3-Picoline

CAS108-99-6

MFC6H7N

MW93.13

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  • Mass

    MS-NW-5548          
    3-methylpyridine
    C6H7N               (Mass of molecular ion:     93)
    

       Source Temperature: 240 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          26.0       2.3
          27.0       3.2
          28.0       3.1
          31.0       1.0
          37.0       4.1
          38.0       8.3
          39.0      30.0
          40.0      14.0
          41.0       3.4
          50.0       3.5
          51.0       5.9
          52.0       3.2
          53.0       2.7
          54.0       2.8
          61.0       2.1
          62.0       3.6
          63.0       7.6
          64.0       3.5
          65.0      26.0
          66.0      39.4
          67.0      11.3
          78.0       3.9
          91.0       1.2
          92.0      30.5
          93.0     100.0
          94.0       7.2
    

parameter in DMSO-d6

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C6 H7 N 30 % in DMSO
    3-methylpyridine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.57 D(B) 7.69 D(C) 7.29 D(D) 8.57 D(E) 2.29 J(A,B) 2.2 J(A,C) 1.0 J(A,D) 0.3 J(A,E) 0.0 J(B,C) 7.8 J(B,D) 2.2 J(B,E) 0.7 J(C,D) 4.4 J(C,E) 0.0 J(D,E) 0.0 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962) J(A,D) LESS THAN 0.3HZ.

         Hz     ppm     Int.
    

       2574.29   8.581    136
       2572.01   8.573    266
       2570.03   8.567    264
       2567.81   8.559    142
       2312.88   7.710     44
       2311.31   7.704     73
       2310.78   7.703     73
       2309.21   7.697     45
       2305.06   7.684     52
       2303.49   7.678     83
       2302.96   7.677     83
       2301.51   7.672     50
       2193.44   7.311     82
       2192.57   7.309     81
       2189.07   7.297     80
       2188.13   7.294     82
       2185.68   7.286     75
       2184.75   7.282     72
       2181.25   7.271     69
       2180.31   7.268     69
        687.21   2.291   1000
        686.80   2.289   1000
    


  • 1H NMR 89.56 MHz
    C6 H7 N 0.04 ml : 0.5 ml CDCl3
    3-methylpyridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.44 B 8.42 C 7.457 D 7.161 E 2.320

         Hz     ppm     Int.
    

        754.88   8.429    236
        751.31   8.389    103
        750.19   8.377    104
        675.06   7.538     37
        674.31   7.530     43
        672.81   7.513     66
        672.13   7.505     54
        671.31   7.496     42
        670.50   7.487     37
        667.31   7.451     61
        666.56   7.443     74
        665.00   7.426    114
        664.31   7.418     92
        663.50   7.409     73
        662.75   7.401     60
        647.19   7.227    113
        646.56   7.220    115
        646.25   7.216    115
        642.44   7.174    102
        641.56   7.164    104
        639.44   7.140     68
        638.50   7.130     69
        634.69   7.087     66
        634.06   7.080     66
        633.75   7.077     68
        207.75   2.320   1000
    

in CDCl3



CCl4 solution



liquid film





X-IRRAD. OF ADAMANTANE RECRYST. FROM 3-PICOLINE