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55-21-0

苯甲酰胺(55-21-0)红外图谱(IR1)

产品名称:苯甲酰胺

CAS:55-21-0

分子式:C7H7NO

分子量: 121.14

InChI:InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)

InChIKey: KXDAEFPNCMNJSK-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0224          
    benzamide
    C7H7NO              (Mass of molecular ion:    121)
    

       Source Temperature: 160 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          16.0       1.6
          26.0       1.2
          27.0       4.6
          28.0       1.6
          37.0       4.4
          38.0       5.7
          39.0       7.7
          43.0       1.0
          44.0      13.7
          47.0       1.4
          49.0       3.0
          50.0      30.1
          51.0      56.8
          52.0       7.8
          53.0       1.2
          61.0       1.4
          62.0       2.5
          63.0       2.8
          65.0       2.8
          73.0       3.1
          74.0      13.3
          75.0       6.8
          76.0       7.4
          77.0     100.0
          78.0      13.1
          92.0       1.1
         104.0       1.2
         105.0      80.3
         106.0       7.3
         121.0      68.4
         122.0       6.3
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C7 H7 N O 0.041 g : 0.5 ml DMSO-d6
    benzamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 8.05 B 7.925 C 7.531 D 7.47 E *1 7.46

         Hz     ppm     Int.
    

       3216.80   8.050    220
       3171.88   7.937    669
       3170.78   7.934    834
       3169.31   7.931    458
       3165.77   7.922    291
       3163.82   7.917    973
       3162.23   7.913    712
       3019.04   7.555    159
       3011.72   7.536    496
       3009.40   7.531    175
       3005.86   7.522    284
       3004.52   7.518    436
       3003.17   7.515    251
       2992.55   7.488    741
       2986.33   7.473    608
       2984.99   7.470   1000
       2979.49   7.456    372
       2977.91   7.452    560
    

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    1H NMR 89.56 MHz
    C7 H7 N O 0.045 g : 0.5 ml DMSO-d6
    benzamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 8.0 B 7.92 C 7.49 D 7.47 E *1 7.4

         Hz     ppm     Int.
    

        721.88   8.061     88
        717.13   8.008    167
        714.25   7.976    436
        712.31   7.954    483
        709.19   7.919    387
        707.50   7.900    421
        704.50   7.867    555
        702.69   7.847    130
        700.56   7.823     62
        699.88   7.815     57
        699.13   7.807     63
        681.88   7.614     57
        680.38   7.597     54
        677.75   7.568    179
        676.19   7.551    304
        673.38   7.519   1000
        671.56   7.499    899
        668.38   7.463    485
        666.94   7.447    428
        666.06   7.438    519
        663.88   7.413    207
        663.00   7.403    237
        661.50   7.387    228
        659.06   7.359    124
        657.19   7.338    108
        655.38   7.318     62
        654.81   7.312     58
        654.06   7.304     53
    

KBr disc

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nujol mull

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4880 A,200 M,powder

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