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Back ChemicalBook Home>CAS DataBase List>109-06-8More Spectrum> 2-Picoline(109-06-8) IR1

2-Picoline(109-06-8) IR1

Product Name2-Picoline

CAS109-06-8

Molecular FormulaC6H7N

Molecular Weight93.13

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

InChIKey BSKHPKMHTQYZBB-UHFFFAOYSA-N

SmilesC1(C)=NC=CC=C1


  • Mass

    MS-NW-0773          
    2-methylpyridine
    C6H7N               (Mass of molecular ion:     93)
    

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

          26.0       2.4
          27.0       3.2
          28.0       2.8
          37.0       2.5
          38.0       4.6
          39.0      14.2
          40.0       6.3
          41.0       2.4
          42.0       1.6
          46.5       2.3
          50.0       5.6
          51.0      11.5
          52.0       6.4
          53.0       4.3
          54.0       1.7
          61.0       1.2
          62.0       1.8
          63.0       4.3
          64.0       2.5
          65.0      14.0
          66.0      39.9
          67.0       7.9
          78.0      15.9
          79.0       1.0
          91.0       1.3
          92.0      20.4
          93.0     100.0
          94.0       7.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H7 N 0.04 ml : 0.5 ml CDCl3
    2-methylpyridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.477 B 7.538 C 7.12 D 7.08 E 2.547 J(A,B)=1.8HZ, J(A,D)=4.8HZ, J(B,C)=7.9HZ, J(B,D)=7.4HZ

         Hz     ppm     Int.
    

        761.56   8.504     69
        757.38   8.457     72
        756.88   8.452     73
        685.06   7.650     41
        683.25   7.629     42
        677.63   7.567     79
        675.63   7.544     95
        669.88   7.480     88
        668.00   7.459     85
        642.19   7.171    129
        639.25   7.138     85
        638.81   7.133     83
        634.38   7.084    141
        633.94   7.079    141
        631.50   7.052     68
        627.06   7.002     46
        626.56   6.996     50
        625.88   6.989     46
        228.19   2.548   1000
    

in CDCl3



CCl4 solution



KBr disc



liquid film





X-IRRAD. OF ADAMANTANE RECRYST. FROM 2-PICOLINE



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