3544-24-9

3-氨基苯甲酰胺(3544-24-9)核磁图(¹HNMR)

产品名称:3-氨基苯甲酰胺

CAS:3544-24-9

分子式:C7H8N2O

分子量: 136.15

InChI:InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)

InChIKey: GSCPDZHWVNUUFI-UHFFFAOYSA-N

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

Mass

MS-NW-2073          
m-aminobenzamide
C7H8N2O             (Mass of molecular ion:    136)

   Source Temperature: 200 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      17.0       1.6
      18.0       7.8
      27.0       2.1
      28.0       7.4
      37.0       3.2
      38.0       6.8
      39.0      19.4
      40.0       3.0
      41.0       7.5
      42.0       1.9
      44.0       5.4
      45.5       1.2
      46.0       1.6
      50.0       3.1
      51.0       3.1
      52.0       6.8
      53.0       2.2
      54.0       3.5
      61.0       1.8
      62.0       3.5
      63.0       9.9
      64.0      10.3
      65.0      42.4
      66.0      10.2
      67.0       1.6
      74.0       1.0
      75.0       1.3
      76.0       1.9
      78.0       1.0
      80.0       3.1
      90.0       4.4
      91.0      21.1
      92.0      70.4
      93.0       6.8
     107.0       1.9
     108.0       1.2
     117.0       2.1
     118.0      42.2
     119.0       5.9
     120.0      64.1
     121.0       5.1
     136.0     100.0
     137.0       8.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇H₈N₂O	0.040 g : 0.5 ml DMSO-d₆
m-aminobenzamide

    Assign.     Shift(ppm)

     A *         7.77
     B *         7.19
     C           7.08
     D           7.07
     E           7.009
     F           6.701
     G           5.21

     Hz     ppm     Int.

   3104.62   7.766    368
   2872.56   7.186    377
   2834.23   7.090    526
   2832.77   7.086    687
   2830.82   7.081    978
   2828.98   7.077    749
   2826.79   7.071   1000
   2818.97   7.052    693
   2804.81   7.016    733
   2797.12   6.997    399
   2683.35   6.713    451
   2682.13   6.709    436
   2681.16   6.707    404
   2676.52   6.695    363
   2675.54   6.693    390
   2674.32   6.690    393
   2084.23   5.214    606

in D2O

in DMSO-d6