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338-69-2

D-丙氨酸(338-69-2)Raman光譜

產(chǎn)品名稱: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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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