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返回ChemicalBook首页>CAS数据库列表>13115-71-4更多图谱> 甘氨酰-L-谷氨酰胺一水合物(13115-71-4)红外图谱(IR2)

13115-71-4

甘氨酰-L-谷氨酰胺一水合物(13115-71-4)红外图谱(IR2)

分子式:C7H13N3O4

分子量: 203.2

InChI:InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m0/s1

InChIKey: PNMUAGGSDZXTHX-BYPYZUCNSA-N

Smiles:C(O)(=O)[C@H](CCC(N)=O)NC(=O)CN

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    Mass

    MS-IW-4948          
    glycyl-L-glutamine
    C7H13N3O4           (Mass of molecular ion:    203)
    

       Source Temperature: 170 °C
       Sample Temperature: 220 °C
       Direct, 75 eV
    

          15.0       1.4
          16.0      10.5
          17.0      10.2
          18.0      17.8
          26.0       2.5
          27.0       8.7
          28.0      33.7
          29.0       6.8
          30.0      26.7
          31.0       1.1
          38.0       1.1
          39.0       4.4
          40.0       2.5
          41.0      23.7
          42.0      12.5
          43.0       6.5
          44.0      11.0
          45.0       2.1
          52.0       1.7
          53.0       1.5
          54.0       7.2
          55.0      16.5
          56.0      25.4
          57.0       6.0
          58.0       2.2
          59.0      18.1
          66.0       1.6
          67.0       2.1
          68.0       5.3
          69.0      10.3
          70.0       4.4
          71.0       1.5
          72.0       4.9
          73.0       7.4
          82.0       3.4
          83.0      14.7
          84.0      97.1
          85.0      15.0
          86.0       1.3
          95.0       5.2
          96.0       2.9
          97.0      19.5
          98.0       5.0
          99.0       5.0
         100.0       1.8
         101.0       1.0
         111.0       6.2
         112.0       4.7
         113.0       3.2
         114.0       6.5
         123.0       1.4
         124.0       5.3
         125.0       7.6
         126.0      20.5
         127.0       6.3
         128.0       1.0
         129.0       1.6
         139.0       3.9
         140.0       9.9
         141.0       1.0
         142.0       2.2
         167.0       8.9
         168.0     100.0
         169.0       9.2
         170.0       1.2
         185.0       1.2
         207.0       1.6
    

400 MHz in D2O

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    1H NMR 399.65 MHz
    C7 H13 N3 O4 0.047 g : 0.5 ml D2O
    glycyl-L-glutamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.220 B 3.87 C 2.341 D *1 2.143 E *1 1.969

         Hz     ppm     Int.
    

       1693.48   4.238    151
       1688.60   4.226    168
       1684.94   4.217    177
       1680.05   4.204    157
       1562.87   3.911     52
       1546.88   3.871    966
       1545.29   3.867   1000
       1529.17   3.827     52
        943.97   2.362    251
        940.43   2.354     44
        936.16   2.343    628
        928.47   2.324    359
        873.54   2.186     53
        868.65   2.174     56
        865.97   2.167     67
        865.23   2.165     60
        860.96   2.155     76
        859.62   2.151    108
        857.67   2.147     51
        854.61   2.139     76
        851.68   2.132    138
        846.68   2.119    122
        843.63   2.111     54
        838.62   2.099     49
        803.96   2.012     64
        796.88   1.994     95
        795.78   1.992    117
        789.92   1.977     71
        788.45   1.973    127
        782.47   1.958    101
        781.62   1.956     84
        780.40   1.953     79
        773.93   1.937     97
        766.36   1.918     36
    

in D2O

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KBr disc

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nujol mull

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