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网站主页CAS数据库列表 13574-84-0更多图谱2-异丁吲哚丁醇(13574-84-0)红外图谱(IR2)

2-异丁吲哚丁醇

产品名称 2-异丁吲哚丁醇

CAS号13574-84-0

分子式C29H46N2O6

分子量518.69

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  • Mass

    MS-NW-9130          
    N-tert-butoxycarbonyl-L-glutamic acid gamma-benzyl ester dicyclohexylamine salt
    C17H23NO6 C12H23N   (Mass of molecular ion:    337)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          18.0       3.6
          27.0       2.6
          28.0       6.7
          29.0       6.6
          30.0       1.3
          31.0       3.8
          39.0       5.6
          40.0       1.0
          41.0      20.3
          42.0       1.7
          43.0       5.0
          44.0       6.9
          51.0       2.3
          53.0       1.0
          54.0       1.0
          55.0       4.7
          56.0      13.0
          57.0      63.8
          58.0       3.7
          59.0      13.8
          63.0       1.0
          65.0       6.0
          74.0       1.1
          77.0       4.5
          78.0       1.1
          79.0       7.8
          82.0       2.0
          83.0       1.4
          84.0      17.0
          85.0       3.6
          87.0       1.1
          89.0       2.1
          90.0       3.7
          91.0     100.0
          92.0      10.6
         100.0       3.1
         101.0       2.1
         102.0       5.0
         103.0       5.4
         105.0       1.3
         107.0      13.2
         108.0      19.8
         109.0       1.6
         119.0       2.8
         128.0       4.5
         129.0       2.6
         130.0       9.5
         138.0      12.4
         139.0       1.4
         146.0      11.5
         147.0       2.6
         174.0       3.4
         181.0       1.7
         190.0       1.6
         192.0      22.6
         193.0       2.9
         236.0       3.9
         237.0       5.6
         238.0       1.3
         263.0       1.0
         281.0      11.2
         282.0       1.9
         292.0       1.6
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C17 H23 N O6 0.042 g : 0.5 ml CDCl3
    N-tert-butoxycarbonyl-L-glutamic acid gamma-benzyl ester dicyclohexylamine salt
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.33 B 5.51 C *1 5.098 D *1 5.091 E 3.99 F 2.95 G *2 2.525 J *2 2.367 K *3 2.237 L *3 2.02 M 1.98 N 1.75 P 1.60 Q 1.433 R 1.39 S 1.17

         Hz     ppm     Int.
    

       2937.01   7.349     36
       2934.88   7.344    113
       2933.96   7.342    119
       2932.59   7.338    136
       2929.84   7.332    902
       2926.18   7.322    141
       2924.04   7.317     91
       2921.60   7.311     53
       2919.01   7.304     35
       2917.63   7.301     43
       2204.59   5.517     32
       2198.03   5.500     34
       2036.74   5.097    297
       2035.37   5.093    261
       1595.76   3.993     31
       1595.46   3.993     31
       1190.49   2.979     35
       1182.56   2.959     44
       1179.05   2.951     71
       1175.38   2.942     45
       1167.45   2.922     38
        793.00   1.985    119
        782.47   1.958    120
        703.58   1.761     82
        697.33   1.745     96
        697.02   1.745     96
        696.72   1.744     96
        694.73   1.739     99
        644.99   1.614     69
        635.38   1.590     58
        572.66   1.433   1000
        564.88   1.414    115
        561.98   1.407    118
        552.37   1.383     96
        549.93   1.377    100
        540.77   1.354     41
        537.72   1.346     37
        498.66   1.248     31
        486.15   1.217     80
        473.02   1.184    111
        464.17   1.162    120
        456.24   1.142     63
        443.57   1.110     31
    

in CDCl3



KBr disc



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