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5813-86-5

3-甲氧基苯甲酰胺(5813-86-5)红外图谱(IR2)

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

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    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

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

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KBr disc

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nujol mull

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