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Back ChemicalBook Home>CAS DataBase List>2369-18-8More Spectrum> 2-Fluoro-3-methylpyridine(2369-18-8) IR1

2-Fluoro-3-methylpyridine(2369-18-8) IR1

Molecular FormulaC6H6FN

Molecular Weight111.12

InChIInChI=1S/C6H6FN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3

InChIKey PHGXUFPYCAWEHK-UHFFFAOYSA-N

SmilesC1(F)=NC=CC=C1C


  • Mass

    MS2006-02984WA      
    2-fluoro-3-methylpyridine
    C6H6FN              (Mass of molecular ion:    111)
    

       Source Temperature: 250 °C
       Sample Temperature: 250 °C
       Reservoir, 70 eV
    

          27.0       1.3
          31.0       2.7
          37.0       1.8
          38.0       3.6
          39.0       9.1
          40.0       1.3
          50.0       2.4
          51.0       3.2
          52.0       1.5
          56.0       2.0
          57.0       8.5
          58.0       2.5
          59.0       1.1
          61.0       1.5
          62.0       2.4
          63.0       7.0
          64.0       7.9
          65.0       4.4
          66.0       1.4
          69.0       1.4
          70.0       1.0
          78.0       1.0
          81.0       2.0
          82.0       2.0
          83.0      17.4
          84.0      17.3
          85.0       4.1
          90.0       1.8
          91.0      21.2
          92.0       3.2
         109.0       1.3
         110.0      47.6
         111.0     100.0
         112.0       6.8
    

in CDCl3

parameter in TMS




  • 1H NMR 300 MHz
    C6 H6 F N in TMS
    2-fluoro-3-methylpyridine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.997 D(B) 7.102 D(C) 7.643 D(D) 2.212 J(A,B) 5.01 J(A,C) 1.98 J(A,D) -0.7 J(A,X) -1.02 J(B,C) 7.50 J(B,D) 0.40 J(B,X) 1.83 J(C,D) -0.85 J(C,X) 9.93 J(D,X) 1.45 SCHAEFER,T. ET AL. CAN.J.CHEM. 47, 1507 (1969)

         Hz     ppm     Int.
    

       2402.45   8.008    124
       2401.64   8.005    136
       2400.78   8.003    130
       2399.17   7.997     79
       2398.42   7.995     98
       2397.50   7.992    134
       2396.64   7.989    141
       2395.78   7.986    129
       2303.08   7.677     61
       2302.27   7.674     72
       2301.20   7.671     72
       2300.34   7.668     59
       2295.61   7.652     70
       2294.69   7.649     88
       2293.62   7.645    108
       2292.86   7.643    113
       2292.33   7.641    109
       2291.30   7.638     84
       2290.34   7.634     65
       2285.66   7.619     64
       2284.74   7.616     78
       2283.78   7.613     77
       2282.81   7.609     61
       2137.62   7.125     97
       2136.06   7.120     88
       2132.62   7.109     98
       2130.53   7.102    142
       2128.64   7.095     89
       2125.04   7.083     84
       2123.64   7.079     82
        663.90   2.213    995
        663.46   2.212   1000
    

in CDCl3



Liquid film



2-Fluoro-3-methylpyridine(2369-18-8) IR1 Atlas of Related Products

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