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338-69-2

D-丙氨酸(338-69-2)红外图谱(IR2)

产品名称:D-丙氨酸

CAS:338-69-2

分子式:C3H7NO2

分子量: 89.09

InChI:InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1

InChIKey: QNAYBMKLOCPYGJ-UWTATZPHSA-N

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

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    Mass

    MS-NW-0240          
    D-alanine
    C3H7NO2             (Mass of molecular ion:     89)
    

       Source Temperature: 200 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          15.0       3.5
          18.0      16.4
          26.0       1.3
          27.0       4.5
          28.0      12.9
          29.0       1.5
          40.0       2.0
          41.0       3.4
          42.0      11.5
          43.0       3.8
          44.0     100.0
          45.0       3.5
          46.0       1.9
          74.0       2.5
    

90 MHz in D2O

400 MHz in D2O

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    1H NMR 89.56 MHz
    C3 H7 N O2 0.038 g : 0.5 ml D2O
    D-alanine
    ChemicalStructure
        Assign.     Shift(ppm)
    B 3.783 C 1.482 THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

        350.13   3.910     95
        342.81   3.828    283
        335.56   3.747    301
        328.44   3.668    116
        140.81   1.573     31
        136.25   1.522   1000
        129.00   1.441    923
        123.88   1.384     25
    

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    1H NMR 399.65 MHz
    C3 H7 N O2 0.037 g : 0.5 ml D2O
    D-alanine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.786 B 1.482 THE SOLVENT PEAK SUPPRESSED.

         Hz     ppm     Int.
    

       1524.41   3.815     93
       1517.09   3.797    294
       1509.89   3.779    297
       1502.56   3.760     94
        595.83   1.491   1000
        588.62   1.473    944
    

in D2O

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KBr disc

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nujol mull

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4880 A,200 M,powder

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