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3-Picoline

Product Name 3-Picoline

CAS108-99-6

MFC6H7N

MW93.13

¹³CNMR

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

    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

    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

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