1HNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 1HNMR)" />

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760-78-1

DL-正纈氨酸(760-78-1)核磁圖(1HNMR)

產(chǎn)品名稱:DL-正纈氨酸

CAS:760-78-1

分子式:C5H11NO2

分子量: 117.15

InChI:InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey: SNDPXSYFESPGGJ-BYPYZUCNSA-N

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

  • 圖譜
    Mass

    MS-NW-0334          
    DL-norvaline
    C5H11NO2            (Mass of molecular ion:    117)
    

       Source Temperature: 190 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          15.0       1.1
          18.0       3.7
          27.0       6.1
          28.0      14.9
          29.0       5.3
          30.0      46.5
          39.0       3.5
          41.0       3.7
          42.0       4.9
          43.0       4.7
          44.0       7.8
          45.0       1.6
          46.0       3.1
          55.0       6.1
          56.0       3.0
          57.0       3.0
          70.0       1.1
          72.0     100.0
          73.0       4.9
          74.0      24.0
          75.0       2.1
    

400 MHz in D2O

90 MHz in D2O

  • 圖譜

    1H NMR 399.65 MHz
    C5 H11 N O2 0.039 g : 0.5 ml D2O
    DL-norvaline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.736 B 1.835 C 1.397 D 0.952 THE SOLVENT PEAK SUPPRESSED.

         Hz     ppm     Int.
    

       1499.51   3.753    162
       1494.02   3.739    192
       1492.80   3.736    222
       1487.18   3.722    163
        747.68   1.871     75
        745.73   1.866     41
        740.84   1.854    148
        738.65   1.849    115
        735.60   1.841     99
        733.40   1.836    190
        731.32   1.830    175
        725.10   1.815    159
        718.02   1.797     80
        574.71   1.439     30
        571.66   1.431     73
        569.82   1.426     61
        567.50   1.420     84
        564.58   1.413    123
        561.28   1.405    132
        557.50   1.395    142
        554.32   1.388    143
        550.54   1.378    109
        547.97   1.372     94
        543.95   1.362     70
        540.65   1.353     36
        537.35   1.345     30
        387.57   0.970    523
        380.25   0.952   1000
        372.92   0.934    426
    

  • 圖譜

    1H NMR 89.56 MHz
    C5 H11 N O2 0.046 g : 0.5 ml D2O
    DL-norvaline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.730 B 1.837 C 1.400 D 0.962 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

        340.50   3.802    215
        334.63   3.737    443
        328.50   3.668    280
        176.63   1.973     85
        174.94   1.954     99
        169.63   1.895    228
        168.19   1.878    213
        164.50   1.837    229
        160.69   1.795    361
        154.50   1.726    254
        148.13   1.654     36
        143.63   1.604     81
        140.63   1.571     56
        137.38   1.534    126
        135.75   1.516    157
        128.88   1.440    254
        125.50   1.402    167
        123.56   1.380    187
        121.25   1.354    219
        119.75   1.338    201
        113.88   1.272    190
        107.25   1.198     98
         91.50   1.022    702
         84.81   0.947   1000
         77.75   0.869    264
    

in D2O

  • 圖譜

KBr disc

  • 圖譜

nujol mull

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