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丹磺酰-L-异亮氨酸

产品名称 丹磺酰-L-异亮氨酸

CAS号1100-21-6

分子式C18H24N2O4S

分子量364.46

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  • Mass

    MS-NW-2351          
    N-(5-dimethylamino-1-naphthylsulfonyl)-L-isoleucine
    C18H24N2O4S         (Mass of molecular ion:    364)
    

       Source Temperature: 230 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          15.0       1.0
          17.0       2.1
          18.0      10.0
          27.0       2.9
          28.0       5.9
          29.0       6.5
          30.0       1.2
          39.0       2.3
          41.0       6.5
          42.0       8.8
          43.0       1.6
          44.0       2.8
          51.0       1.1
          55.0       2.3
          56.0       1.7
          57.0       4.8
          63.0       1.4
          70.0       1.2
          74.0       1.1
          75.0       1.4
          76.0       1.1
          77.0       2.1
          84.0       1.7
          84.5       1.2
          85.0       1.7
         101.0       1.2
         113.0       1.0
         114.0       1.3
         115.0       3.9
         126.0       3.7
         127.0       8.6
         128.0       6.5
         129.0       3.7
         130.0       1.4
         131.0       3.3
         140.0       1.5
         141.0       1.5
         142.0       1.1
         143.0       1.3
         144.0       1.1
         153.0       1.8
         154.0      11.2
         155.0       9.1
         156.0       2.7
         157.0       1.7
         167.0       2.0
         168.0      16.4
         169.0       9.6
         170.0      66.9
         171.0     100.0
         172.0      13.0
         174.0       1.9
         185.0       1.3
         186.0       4.9
         202.0       1.5
         203.0       4.5
         218.0       1.0
         234.0       2.7
         235.0       3.8
         249.0       1.0
         250.0       7.6
         251.0       1.2
         261.0       3.3
         318.0       3.8
         319.0       1.0
         364.0      15.9
         365.0       3.5
         366.0       1.2
    

90 MHz in CDCl3

400 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C18 H24 N2 O4 S 0.047 g : 0.5 ml CDCl3
    N-(5-dimethylamino-1-naphthylsulfonyl)-L-isoleucine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.02 B 8.45 C 8.39 D 8.23 E 7.55 F 7.47 G 7.206 J 5.59 K 3.75 L 2.847 M 1.66 N 1.58 to 0.80 P 0.70 Q 0.69 400MHZ : HSP-40-533

         Hz     ppm     Int.
    

        897.19  10.018     37
        762.75   8.517     49
        754.25   8.422    113
        745.63   8.326     69
        741.81   8.283     57
        740.56   8.269     60
        734.44   8.201     71
        733.63   8.192     62
        684.81   7.647     41
        684.69   7.646     41
        676.31   7.552    107
        668.75   7.468    103
        660.31   7.373     41
        648.06   7.237     78
        641.06   7.158     50
        505.13   5.641     35
        495.56   5.534     36
        337.75   3.772     31
        255.06   2.848   1000
         68.50   0.765    109
         65.50   0.732    210
         61.75   0.690    161
         58.81   0.657    184
         55.50   0.620     54
         54.81   0.612     55
         54.63   0.610     55
         53.06   0.593     34
    


  • 1H NMR 399.65 MHz
    C18 H24 N2 O4 S 0.047 g : 0.5 ml CDCl3
    N-(5-dimethylamino-1-naphthylsulfonyl)-L-isoleucine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.6 B 8.473 C 8.361 D 8.236 E 7.563 F 7.474 G 7.207 J 5.52 K 3.749 L 2.855 M 1.678 N *1 1.289 P *1 1.028 Q 0.706 R 0.70 ASSIGNED BY COSY. J(J,K)=9.5HZ. J(K,M)=5.1HZ. 90MHZ : HSP-00-964

         Hz     ppm     Int.
    

       3390.66   8.485     56
       3382.11   8.463     59
       3346.10   8.373     63
       3337.55   8.352     68
       3296.20   8.248     65
       3294.98   8.245     69
       3288.88   8.230     73
       3287.66   8.227     70
       3030.85   7.584     52
       3023.38   7.566     66
       3022.31   7.563     62
       3014.68   7.544     58
       2994.84   7.494     60
       2987.52   7.476     64
       2986.30   7.473     66
       2978.97   7.454     57
       2883.15   7.215     71
       2876.13   7.197     63
       2875.52   7.196     62
       2211.00   5.533     36
       2201.54   5.509     37
       1505.89   3.769     36
       1500.70   3.756     38
       1496.28   3.744     37
       1491.24   3.732     35
       1141.05   2.856   1000
        289.46   0.725    124
        282.14   0.706    421
        275.42   0.690    253
    

in CDCl3



KBr disc



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