18063-03-1

2,6-二氟苯甲酰胺(18063-03-1)红外图谱(IR2)

产品名称:2,6-二氟苯甲酰胺

CAS:18063-03-1

分子式:C7H5F2NO

分子量: 157.12

InChI:InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)

InChIKey: AVRQBXVUUXHRMY-UHFFFAOYSA-N

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

Mass

MS-NW-9391          
2,6-difluorobenzamide
C7H5F2NO            (Mass of molecular ion:    157)

   Source Temperature: 270 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      18.0       2.7
      28.0       1.8
      31.0       2.4
      37.0       1.6
      39.0       1.0
      44.0      10.4
      50.0       3.1
      51.0       1.0
      56.0       1.0
      57.0       2.6
      61.0       2.3
      62.0       4.1
      63.0      22.8
      64.0       1.8
      64.5       1.2
      68.0       3.5
      69.0       1.9
      70.0       1.0
      74.0       2.8
      75.0       2.3
      81.0       2.2
      87.0       1.3
      88.0       2.7
      92.0       1.2
      93.0       3.6
      94.0       2.6
     101.0       1.2
     112.0       2.5
     113.0      37.5
     114.0       8.7
     139.0       4.6
     140.0       1.0
     141.0     100.0
     142.0       7.6
     157.0      50.4
     158.0       4.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₅ F₂ N O	0.038 g : 0.5 ml DMSO-d₆
2,6-difluorobenzamide

    Assign.     Shift(ppm)

      A     *1      8.16
      B     *1      7.87
      C             7.488
      D             7.150

     Hz     ppm     Int.

   3262.02   8.163    242
   3146.06   7.873    250
   3007.97   7.527    153
   3001.25   7.510    314
   2999.27   7.505    238
   2994.69   7.494    203
   2992.86   7.489    581
   2991.03   7.485    215
   2986.45   7.473    236
   2985.99   7.472    246
   2984.31   7.468    358
   2977.75   7.451    170
   2870.03   7.182    115
   2868.65   7.178    160
   2865.60   7.171    845
   2861.48   7.160    156
   2860.26   7.157    204
   2857.82   7.151   1000
   2857.21   7.150    945
   2854.92   7.144    217
   2853.55   7.141    155
   2849.58   7.131    738
   2846.22   7.122    152
   2845.15   7.120    109

in DMSO-d6