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2835-81-6

DL-2-氨基丁酸(2835-81-6)質譜(MS)

產品名稱:DL-2-氨基丁酸

CAS:2835-81-6

分子式:C4H9NO2

分子量: 103.12

InChI:InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

InChIKey: QWCKQJZIFLGMSD-UHFFFAOYSA-N

Smiles:C(O)(=O)C(N)CC

  • 圖譜
    Mass 

    MS-NW-8146          
DL-2-amino-n-butyric acid
C4H9NO2             (Mass of molecular ion:    103)


       Source Temperature: 180 °C
   Sample Temperature: 130 °C
   Direct, 75 eV


          15.0       1.0
      18.0       6.4
      27.0       3.5
      28.0      21.6
      29.0       5.1
      30.0      11.6
      39.0       2.4
      41.0      24.4
      42.0       4.6
      43.0       5.9
      44.0       3.1
      45.0       1.8
      46.0       4.3
      56.0       4.7
      57.0       1.8
      58.0     100.0
      59.0       3.9
      74.0      19.1

90 MHz in D2O

  • 圖譜

    1H NMR 89.56 MHz
    C4 H9 N O2 0.043 g : 0.5 ml D2O
    DL-2-amino-N-butyric acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.711
      B             1.894
      C             0.988
     
     SOLVENT PEAK REMOVED
  

         Hz     ppm     Int.


        338.55   3.781    194
    332.74   3.716    398
    326.84   3.650    227
    185.25   2.069     66
    177.48   1.982    239
    170.81   1.908    340
    163.81   1.830    298
    156.71   1.750    118
     95.28   1.064    578
     87.93   0.982   1000
     80.41   0.898    386

in D2O

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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