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Back ChemicalBook Home>CAS DataBase List>1603-40-3More Spectrum> 2-Amino-3-picoline(1603-40-3) 13C NMR

2-Amino-3-picoline(1603-40-3) 13C NMR

Product Name2-Amino-3-picoline

CAS1603-40-3

Molecular FormulaC6H8N2

Molecular Weight108.14

InChIInChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)

InChIKey RGDQRXPEZUNWHX-UHFFFAOYSA-N

SmilesC1(N)=NC=CC=C1C


  • Mass

    MS-NW-1045          
    3-methyl-2-pyridinamine
    C6H8N2              (Mass of molecular ion:    108)
    

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

          18.0       1.6
          26.0       1.3
          27.0       5.4
          28.0       7.0
          30.0       2.0
          37.0       1.5
          38.0       3.3
          39.0      11.4
          40.0       2.7
          41.0       3.7
          42.0       2.0
          43.0       2.7
          50.0       2.7
          51.0       4.3
          52.0       5.9
          53.0      12.6
          54.0       6.2
          55.0       2.4
          56.0       4.6
          62.0       1.2
          63.0       3.2
          64.0       5.0
          65.0       4.0
          66.0       3.0
          67.0       2.4
          68.0       1.8
          78.0       1.4
          79.0       1.9
          80.0      50.8
          81.0      20.9
          82.0       1.6
          91.0      12.1
          92.0       2.0
          93.0       1.1
         107.0      19.5
         108.0     100.0
         109.0       7.2
    

90 MHz in CDCl3

parameter in CDCl3

parameter in DMSO-d6


  • 1H NMR 89.56 MHz
    C6 H8 N2 0.04 ml : 0.5 ml CDCl3
    3-methyl-2-pyridinamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.928 B 7.233 C 6.583 D 4.6 E 2.090

         Hz     ppm     Int.
    

        713.94   7.972     72
        713.38   7.966     83
        712.19   7.953     90
        711.56   7.946     87
        708.94   7.916     82
        708.25   7.909     90
        707.69   7.902     82
        707.06   7.895     95
        706.50   7.889     88
        653.69   7.299     50
        653.00   7.292     89
        652.19   7.283    111
        651.19   7.271    109
        650.38   7.262     92
        649.56   7.253     38
        646.63   7.221     41
        645.81   7.211    113
        644.94   7.202    137
        644.00   7.191    133
        643.13   7.181    111
        642.31   7.172     43
        595.31   6.648    151
        595.00   6.644    153
        590.25   6.591    138
        589.94   6.588    138
        588.13   6.567    124
        587.81   6.564    123
        583.06   6.511    110
        582.69   6.507    109
        406.81   4.543     49
        187.25   2.091   1000
    


  • 1H NMR 300 MHz
    C6 H8 N2 20 % in CDCl3
    3-methyl-2-pyridinamine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.98 D(B) 6.53 D(C) 7.18 D(D) 1.98 J(A,B) 5.1 J(A,C) 1.8 J(A,D) 0.6 J(B,C) 7.2 J(B,D) 0.2 J(C,D) 1.0 D(E) 5.22 BELL,C.L. J.HETEROCYCL.CHEM. 2, 420 (1965)

         Hz     ppm     Int.
    

       2397.72   7.992     71
       2397.22   7.991     76
       2396.55   7.988     68
       2395.94   7.986     80
       2395.50   7.985     76
       2392.66   7.976     74
       2392.05   7.973     80
       2391.55   7.972     71
       2390.88   7.970     79
       2390.38   7.968     73
       2160.02   7.200     25
       2159.07   7.197     60
       2158.13   7.194     77
       2157.24   7.191     77
       2156.29   7.188     60
       2155.40   7.185     28
       2152.79   7.176     29
       2151.84   7.173     65
       2150.90   7.170     82
       2150.06   7.167     82
       2149.12   7.164     64
       2148.17   7.161     27
       1965.07   6.550    113
       1959.96   6.533    113
       1957.90   6.526    111
       1952.84   6.509    101
       1566.01   5.220   1000
        594.07   1.980    717
    


  • 1H NMR 300 MHz
    C6 H8 N2 30 % in DMSO
    3-methyl-2-pyridinamine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.99 D(B) 6.54 D(C) 7.28 D(D) 2.09 J(A,B) 4.8 J(A,C) 1.7 J(A,D) 0.0 J(B,C) 7.4 J(B,D) 0.0 J(C,D) 0.7 D(E) 5.91 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)

         Hz     ppm     Int.
    

       2400.28   8.001    132
       2398.63   7.995    136
       2395.49   7.985    137
       2393.84   7.979    137
       2188.22   7.294     92
       2187.34   7.291     91
       2180.80   7.269     99
       2179.98   7.267     98
       1968.03   6.560    130
       1963.25   6.544    131
       1960.67   6.536    126
       1955.88   6.520    119
       1772.98   5.910    979
        627.26   2.091   1000
        626.82   2.089   1000
    

in CDCl3



liquid film





2-Amino-3-picoline(1603-40-3) 13C NMR Atlas of Related Products

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