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1492-24-6

L-2-氨基丁酸(1492-24-6)核磁图(1HNMR)

产品名称:L-2-氨基丁酸

CAS:1492-24-6

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)/t3-/m0/s1

InChIKey: QWCKQJZIFLGMSD-VKHMYHEASA-N

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

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    Mass

    MS-IW-4306          
    L-2-aminobutyric acid
    C4H9NO2             (Mass of molecular ion:    103)
    

       Source Temperature: 200 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          15.0       1.3
          17.0       1.8
          18.0      10.8
          26.0       3.2
          27.0       8.5
          28.0      41.3
          29.0       7.6
          30.0       8.3
          38.0       1.2
          39.0       5.4
          40.0       3.6
          41.0      37.9
          42.0       5.6
          43.0       6.9
          44.0       5.4
          45.0       1.9
          46.0       2.9
          51.0       1.2
          52.0       2.3
          53.0       1.6
          54.0       8.4
          55.0       2.9
          56.0      16.3
          57.0       5.9
          58.0     100.0
          59.0       6.0
          67.0       1.5
          70.0       1.2
          74.0      33.9
          75.0       1.1
          85.0       1.0
    

400 MHz in D2O

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    1H NMR 399.65 MHz
    C4 H9 N O2 0.040 g : 0.5 ml D2O
    L-2-aminobutyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.715 B *1 1.91 C *1 1.89 D 0.963 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

       1490.97   3.731    169
       1485.35   3.717    221
       1484.74   3.716    254
       1479.13   3.702    174
        776.00   1.942     42
        773.80   1.937     38
        770.39   1.928     51
        769.78   1.927     50
        768.31   1.923    129
        766.24   1.918    121
        762.82   1.909    120
        760.62   1.904    164
        760.01   1.902    166
        758.79   1.899    144
        755.25   1.890    115
        752.56   1.884    135
        747.68   1.871     41
        745.12   1.865     48
        400.27   1.002    490
        392.70   0.983   1000
        385.13   0.964    443
    

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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