448-39-5

4-氟-2-硝基乙酰苯胺(448-39-5)紅外圖譜(IR2)

產(chǎn)品名稱:4-氟-2-硝基乙酰苯胺

CAS:448-39-5

分子式:C8H7FN2O3

分子量: 198.15

InChI:InChI=1S/C8H7FN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)

InChIKey: UZBZEUCQENVPQB-UHFFFAOYSA-N

Smiles:C(NC1=CC=C(F)C=C1[N+]([O-])=O)(=O)C

Mass

MS-IW-1753          
4'-fluoro-2'-nitroacetanilide
C8H7FN2O3           (Mass of molecular ion:    198)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       2.5
      28.0       1.0
      30.0       2.0
      31.0       1.5
      42.0       1.6
      43.0      67.2
      44.0       1.7
      50.0       1.2
      51.0       1.2
      52.0       1.9
      56.0       1.4
      57.0       4.5
      62.0       1.3
      63.0       3.3
      64.0       1.1
      70.0       2.1
      75.0       1.0
      76.0       1.5
      81.0       3.7
      82.0       5.8
      83.0      12.1
      84.0       2.0
      90.0       3.2
      95.0       1.8
      96.0       1.6
      97.0       1.0
      98.0       5.1
     108.0       4.0
     109.0       2.5
     110.0      37.9
     111.0       3.1
     126.0       4.6
     139.0       2.6
     140.0       2.1
     152.0       2.2
     156.0     100.0
     157.0       7.5
     198.0      22.4
     199.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ F N₂ O₃	0.036 g : 0.5 ml CDCl₃
4'-fluoro-2'-nitroacetanilide

    Assign.     Shift(ppm)

      A            10.2
      B             8.793
      C             7.924
      D             7.406
      E             2.298

     Hz     ppm     Int.

   3521.58   8.812     57
   3516.39   8.799     58
   3512.12   8.788     60
   3506.93   8.776     59
   3171.39   7.936     61
   3168.33   7.928     64
   3162.84   7.915     61
   3159.79   7.907     62
   2969.67   7.431     32
   2969.21   7.430     31
   2966.61   7.424     31
   2966.16   7.422     30
   2962.65   7.414     34
   2962.19   7.412     34
   2959.75   7.406     54
   2959.14   7.405     36
   2957.31   7.400     30
   2953.34   7.390     31
   2952.73   7.389     30
    918.73   2.299   1000

in CDCl3