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2013-12-9

D-正缬氨酸(2013-12-9)Raman光谱

产品名称:D-正缬氨酸

CAS:2013-12-9

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-/m1/s1

InChIKey: SNDPXSYFESPGGJ-SCSAIBSYSA-N

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

400 MHz in D2O

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    1H NMR 399.65 MHz
    C5 H11 N O2 0.036 g : 0.5 ml D2O
    D-norvaline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.737 B 1.836 C 1.401 D 0.952 THE SOLVENT PEAK SUPPRESSED.

         Hz     ppm     Int.
    

       1499.63   3.753    167
       1494.02   3.739    215
       1492.80   3.736    232
       1487.30   3.722    165
        747.80   1.872     81
        745.73   1.866     48
        740.84   1.854    161
        738.77   1.849    122
        735.47   1.841    120
        733.40   1.836    211
        731.32   1.830    180
        725.46   1.816    171
        718.02   1.797     85
        710.33   1.778     30
        577.76   1.446     32
        577.51   1.446     32
        574.71   1.439     37
        571.66   1.431     82
        567.63   1.421     97
        564.58   1.413    138
        561.40   1.405    148
        557.50   1.395    156
        554.57   1.388    156
        550.42   1.378    117
        547.97   1.372    101
        543.95   1.362     74
        540.77   1.354     36
        537.35   1.345     31
        387.57   0.970    532
        380.25   0.952   1000
        372.92   0.934    428
    

in D2O

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KBr disc

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nujol mull

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