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网站主页CAS数据库列表 2901-80-6更多图谱N-苯甲酰-N-缬氨酸(2901-80-6)核磁图(1HNMR)

N-苯甲酰-N-缬氨酸

产品名称 N-苯甲酰-N-缬氨酸

CAS号2901-80-6

分子式C12H15NO3

分子量221.25

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  • Mass

    MS-NW-2360          
    N-benzoyl-DL-valine
    C12H15NO3           (Mass of molecular ion:    221)
    

       Source Temperature: 210 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          17.0       1.0
          18.0       5.1
          27.0       2.8
          28.0       2.4
          39.0       2.5
          41.0       3.2
          43.0       5.5
          50.0       2.8
          51.0       9.9
          76.0       2.2
          77.0      35.3
          78.0       2.9
         103.0       1.1
         104.0       2.3
         105.0     100.0
         106.0      12.6
         121.0       1.4
         122.0      18.4
         123.0       1.5
         133.0       6.7
         134.0       1.1
         144.0       1.2
         161.0      24.0
         162.0       3.5
         176.0      11.2
         177.0       2.9
         179.0       4.3
         203.0       1.7
         221.0       2.5
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H15 N O3 saturated in CDCl3
    N-benzoyl-DL-valine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9. B 7.807 C 7.521 D 7.450 E 6.72 F 4.810 G 2.354 J *1 1.051 K *1 1.025 J(E,F)=8.5HZ. J(F,G)=4.7HZ. 90MHZ : HSP-04-705

         Hz     ppm     Int.
    

       3127.29   7.826     54
       3125.31   7.821    289
       3124.08   7.818    398
       3122.56   7.814    212
       3119.05   7.805    122
       3117.07   7.800    484
       3115.69   7.797    372
       3016.51   7.548     46
       3015.29   7.545     91
       3013.92   7.542     61
       3010.25   7.533     65
       3007.97   7.527    252
       3005.68   7.521     91
       3001.86   7.512    130
       3000.49   7.508    228
       2999.11   7.505    126
       2985.99   7.472     72
       2984.01   7.467    358
       2982.64   7.464    170
       2980.19   7.458     46
       2977.75   7.451    264
       2976.38   7.448    507
       2970.89   7.434     84
       2969.21   7.430    208
       2968.14   7.427    136
       2691.35   6.735    101
       2682.65   6.713    105
       1929.17   4.828    140
       1926.88   4.822     39
       1924.44   4.816    150
       1920.62   4.806    146
       1915.89   4.794    139
        951.54   2.381     34
        949.71   2.377     68
        944.82   2.365     74
        942.84   2.360     97
        937.96   2.347     96
        935.97   2.342     77
        931.09   2.330     71
        928.96   2.325     36
        430.30   1.077     38
        423.74   1.061    927
        416.87   1.044    940
        413.21   1.034   1000
        406.34   1.017    940
    


  • 1H NMR 89.56 MHz
    C12 H15 N O3 0.050 g : 0.5 ml CDCl3
    N-benzoyl-DL-valine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.27 B 7.796 C 7.54 to 7.33 D 6.82 E 4.801 F 2.34 G *1 1.034 J *1 1.013 400MHZ : HSP-41-796

         Hz     ppm     Int.
    

       1011.29  11.292    190
       1007.87  11.254    201
        703.76   7.858    233
        701.97   7.838    288
        698.80   7.803    205
        696.84   7.781    299
        694.10   7.751    410
        692.31   7.731     91
        690.69   7.713     56
        675.22   7.540    103
        673.08   7.516    174
        670.35   7.485    669
        668.90   7.469    578
        665.99   7.437    218
        663.00   7.403    309
        659.58   7.365     94
        658.13   7.349     95
        655.91   7.324     51
        654.11   7.304     53
        615.58   6.874    132
        612.33   6.838     52
        610.45   6.817     52
        607.03   6.778    146
        436.56   4.875    182
        431.86   4.823    193
        430.24   4.804     49
        428.02   4.780    169
        423.23   4.726    171
        219.18   2.448     59
        218.84   2.444     59
        214.14   2.392     73
        213.28   2.382     70
        212.08   2.369     87
        207.13   2.313     94
        206.19   2.303     72
        205.33   2.293     77
        200.55   2.240     72
         95.96   1.072    976
         93.91   1.049   1000
         89.12   0.996    913
         87.07   0.973    893
         82.80   0.925     83
         79.90   0.893     52
         79.55   0.889     49
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder