3-氟-2-甲基苯胺(443-86-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-氟-2-甲基苯胺

CAS:443-86-7

分子式:C7H8FN

分子量: 125.14

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

InChIKey: SLDLVGFPFFLYBM-UHFFFAOYSA-N

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

Mass

MS-IW-1279          
3-fluoro-o-toluidine
C7H8FN              (Mass of molecular ion:    125)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      28.0       3.1
      30.0       7.9
      39.0       1.9
      50.0       1.8
      51.0       4.8
      51.5       1.2
      52.0       2.5
      52.5       3.2
      57.0       2.1
      62.0       3.4
      62.5       3.1
      63.0       1.4
      70.0       1.8
      75.0       2.2
      77.0       7.4
      78.0       2.5
      83.0       1.4
      95.0       4.5
      96.0       3.9
      97.0       9.7
      98.0       2.2
     104.0       3.3
     106.0       2.8
     107.0       6.9
     108.0       6.3
     109.0       4.1
     122.0       2.2
     124.0     100.0
     125.0      90.7
     126.0       7.1

400 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             6.907
      B             6.442
      C             6.387
      D             3.64
      E             2.007

     Hz     ppm     Int.

   2772.46   6.938     65
   2771.97   6.936     66
   2764.04   6.917    148
   2757.57   6.900    150
   2756.35   6.897    111
   2749.88   6.881     80
   2749.39   6.880     82
   2583.50   6.465    118
   2574.83   6.443    192
   2565.80   6.421    111
   2556.64   6.398    223
   2548.71   6.378    213
   1453.98   3.639    111
    803.22   2.010    781
    801.39   2.006   1000

in CDCl3