2369-18-8

2-氟-3-甲基吡啶(2369-18-8)核磁图(¹HNMR)

产品名称:2-氟-3-甲基吡啶

CAS:2369-18-8

分子式:C6H6FN

分子量: 111.12

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

InChIKey: PHGXUFPYCAWEHK-UHFFFAOYSA-N

Smiles:C1(F)=NC=CC=C1C

¹HNMR

¹³CNMR

IR1

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

parameter in TMS

in CDCl3

¹H NMR	300 MHz
C₆ H₆ F N	in TMS
2-fluoro-3-methylpyridine

    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