對氟苯甲酰胺(824-75-9)Raman光譜

產(chǎn)品名稱:對氟苯甲酰胺

CAS:824-75-9

分子式:C7H6FNO

分子量: 139.13

InChI:InChI=1S/C7H6FNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)

InChIKey: VNDHYTGVCGVETQ-UHFFFAOYSA-N

Smiles:C(N)(=O)C1=CC=C(F)C=C1

Mass

MS-NW-6918          
p-fluorobenzamide
C7H6FNO             (Mass of molecular ion:    139)

   Source Temperature: 270 °C
   Sample Temperature: 200 °C
   Reservoir, 75 eV

      16.0       1.1
      27.0       1.0
      28.0       1.3
      31.0       2.7
      37.0       4.1
      38.0       3.4
      39.0       2.9
      44.0      10.7
      45.0       1.6
      49.0       2.8
      50.0      14.5
      51.0       7.3
      52.0       1.7
      55.5       1.8
      56.0       1.8
      57.0       4.4
      61.0       3.1
      62.0       3.0
      63.0       3.5
      68.0       5.9
      69.0       8.2
      70.0       3.9
      73.0       2.5
      74.0       9.8
      75.0      35.3
      76.0       4.2
      81.0       1.2
      83.0       2.8
      92.0       1.9
      93.0       2.7
      94.0       8.6
      95.0      80.1
      96.0       9.7
     110.0       1.2
     121.0       4.8
     122.0       1.9
     123.0     100.0
     124.0       8.3
     139.0      61.7
     140.0       5.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₆ F N O	0.05 g : 0.5 ml DMSO-d₆
p-fluorobenzamide

    Assign.     Shift(ppm)

      A     *1      7.46
      B             7.988
      C     *1      8.06
      D             7.302
     
     J(B,D)=J(D,F-19)=8.9HZ, J(B,F-19)=5.6HZ

     Hz     ppm     Int.

   3222.90   8.065    162
   3204.35   8.018     42
   3202.51   8.014     81
   3199.58   8.006    506
   3197.39   8.001    218
   3193.97   7.992    542
   3191.89   7.987    277
   3190.67   7.984    572
   3187.26   7.976    215
   3185.06   7.970    526
   3182.13   7.963     74
   2981.20   7.460    158
   2931.52   7.336     35
   2929.93   7.332     77
   2927.00   7.324    535
   2924.80   7.319    191
   2920.17   7.307    211
   2918.09   7.302   1000
   2916.02   7.297    217
   2911.25   7.285    174
   2909.18   7.280    505
   2906.13   7.272     65

KBr disc