2-氟-5-甲基苯胺(452-84-6)質(zhì)譜(MS)

產(chǎn)品名稱:2-氟-5-甲基苯胺

CAS:452-84-6

分子式:C7H8FN

分子量: 125.14

InChI:InChI=1S/C7H8FN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3

InChIKey: QZUXMXZNVAJNSE-UHFFFAOYSA-N

Smiles:C1(N)=CC(C)=CC=C1F

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9728          
6-fluoro-m-toluidine
C7H8FN              (Mass of molecular ion:    125)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.5
      39.0       1.4
      50.0       1.0
      51.0       3.1
      52.0       1.5
      52.5       1.5
      57.0       1.7
      62.0       2.4
      62.5       3.3
      63.0       1.2
      70.0       1.1
      75.0       1.1
      77.0       7.0
      78.0       3.4
      83.0       1.4
      95.0       2.9
      96.0       2.5
      97.0       8.8
      98.0       2.0
     104.0       4.3
     106.0       3.3
     107.0       2.4
     108.0       1.1
     109.0       3.6
     122.0       1.7
     124.0      97.8
     125.0     100.0
     126.0       7.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₈ F N	0.05 ml : 0.5 ml CDCl₃
6-fluoro-m-toluidine

    Assign.     Shift(ppm)

      A             6.821
      B             6.510
      C             6.441
      D             3.59
      E             2.188

     Hz     ppm     Int.

   2736.08   6.847    176
   2727.91   6.826    198
   2724.98   6.819    187
   2716.80   6.798    200
   2607.54   6.525    116
   2607.18   6.524    117
   2605.47   6.520    136
   2598.88   6.503    118
   2598.51   6.502    119
   2596.68   6.498    141
   2596.31   6.497    137
   2581.67   6.460     75
   2580.93   6.458     76
   2580.20   6.457     58
   2579.47   6.455     72
   2578.86   6.453     67
   2577.15   6.449     82
   2576.42   6.447     82
   2575.68   6.445     62
   2574.95   6.444     76
   2574.22   6.442     90
   2573.49   6.440     91
   2572.75   6.438     77
   2572.02   6.436     58
   2571.29   6.434     69
   2570.56   6.433     67
   2569.82   6.431     50
   2568.85   6.428     75
   2568.24   6.427     74
   2567.50   6.425     55
   2566.65   6.423     66
   2566.04   6.421     61
   1432.98   3.586    509
    874.51   2.189   1000

in CDCl3