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2835-81-6

DL-2-氨基丁酸(2835-81-6)核磁图(13CNMR)

产品名称: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

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    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

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    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

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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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