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2623-91-8

D-2-氨基丁酸(2623-91-8)質(zhì)譜(MS)

產(chǎn)品名稱:D-2-氨基丁酸

CAS:2623-91-8

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)/t3-/m1/s1

InChIKey: QWCKQJZIFLGMSD-GSVOUGTGSA-N

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

  • 圖譜
    Mass 

    MS-IW-8654          
D-2-aminobutyric acid
C4H9NO2             (Mass of molecular ion:    103)


       Source Temperature: 180 °C
   Sample Temperature: 160 °C
   Direct, 75 eV


          18.0       4.9
      27.0       3.1
      28.0      20.3
      29.0       4.1
      30.0       6.7
      39.0       2.3
      41.0      24.2
      42.0       4.1
      43.0       5.4
      44.0       1.7
      45.0       1.6
      46.0       2.5
      54.0       1.7
      56.0       7.6
      57.0       3.0
      58.0     100.0
      59.0       4.8
      74.0      29.7

400 MHz in D2O

  • 圖譜

    1H NMR 399.65 MHz
    C4 H9 N O2 0.038 g : 0.5 ml D2O
    D-2-aminobutyric acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.715
      B             1.900
      C             0.982
     
     THE SOLVENT PEAK SUPPRESSED.
  

         Hz     ppm     Int.


       1490.84   3.731    178
   1484.74   3.716    301
   1479.13   3.702    178
    775.63   1.941     64
    773.56   1.936     65
    768.07   1.922    178
    766.11   1.917    182
    762.57   1.909    179
    759.77   1.902    250
    758.79   1.899    230
    755.00   1.890    161
    752.20   1.883    182
    747.44   1.871     63
    744.75   1.864     65
    408.45   1.023     23
    400.15   1.002    531
    392.58   0.983   1000
    385.01   0.964    468
    378.42   0.947     24

in D2O

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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