5813-86-5

3-甲氧基苯甲酰胺(5813-86-5)核磁图(¹³CNMR)

产品名称:3-甲氧基苯甲酰胺

CAS:5813-86-5

分子式:C8H9NO2

分子量: 151.16

InChI:InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)

InChIKey: VKPLPDIMEREJJF-UHFFFAOYSA-N

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

Mass

MS-NW-6698          
m-anisamide
C8H9NO2             (Mass of molecular ion:    151)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.1
      18.0       3.3
      27.0       1.8
      28.0       1.2
      29.0       1.3
      37.0       2.3
      38.0       6.5
      39.0       8.6
      44.0       9.9
      50.0       8.9
      51.0       6.6
      52.0       2.7
      53.0       3.1
      61.0       1.9
      62.0       4.5
      63.0      15.9
      64.0      16.4
      65.0      10.6
      66.0       1.4
      74.0       4.2
      75.0       3.9
      76.0       7.9
      77.0      38.0
      78.0       6.5
      79.0       4.6
      80.0       2.8
      90.0       2.4
      91.0       1.6
      92.0      26.0
      93.0       3.3
     103.0       3.5
     104.0       2.4
     105.0       2.4
     106.0       1.2
     107.0      42.9
     108.0       5.1
     119.0       1.3
     120.0       1.3
     121.0       4.2
     122.0       1.7
     133.0       4.8
     134.0       1.3
     135.0     100.0
     136.0      10.2
     137.0       1.2
     150.0      10.4
     151.0      97.2
     152.0       9.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₉ N O₂	0.036 g : 0.5 ml DMSO-d₆
m-anisamide

    Assign.     Shift(ppm)

      A     *1      8.02
      B             7.488
      C             7.461
      D     *1      7.42
      E             7.374
      F             7.095
      G             3.808

     Hz     ppm     Int.

   3205.81   8.022     53
   2840.94   7.109     65
   2840.09   7.107     73
   2838.38   7.103     67
   2837.52   7.101     67
   2832.76   7.089     59
   2831.91   7.086     62
   2830.20   7.082     60
   2829.35   7.080     55
   1521.97   3.809   1000

in DMSO-d6