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Back ChemicalBook Home>CAS DataBase List>10569-72-9More Spectrum> DL-3-Aminoisobutyric acid(10569-72-9) IR1

10569-72-9

DL-3-Aminoisobutyric acid(10569-72-9) IR1

Molecular FormulaC4H9NO2

Molecular Weight103.12

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

InChIKey QCHPKSFMDHPSNR-UHFFFAOYSA-N

SmilesC(C)(CN)C(=O)O

  • DL-3-Aminoisobutyric acid(10569-72-9) IR1
    Mass

    MS-NW-5055          
    (+-)-3-amino-2-methylpropionic acid
    C4H9NO2 H2O         (Mass of molecular ion:    103)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       2.4
          27.0       2.6
          28.0       7.6
          29.0       2.1
          30.0     100.0
          31.0       1.7
          39.0       1.5
          41.0       2.9
          42.0       2.1
          45.0       1.6
          55.0       1.1
          56.0       3.8
          57.0       1.7
          73.0       1.4
          74.0       1.2
          84.0       1.1
         103.0       1.9
    

90 MHz in D2O

  • DL-3-Aminoisobutyric acid(10569-72-9) IR1

    1H NMR 89.56 MHz
    C4 H9 N O2 0.046 g : 0.5 ml D2O
    (+-)-3-amino-2-methylpropionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.12 B *1 3.03 C 2.61 D 1.198 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

        292.75   3.269     33
        284.69   3.179     30
        280.13   3.128    312
        277.25   3.096    292
        271.75   3.035    620
        264.56   2.954     36
        110.44   1.234   1000
        107.69   1.203     45
        107.38   1.199     43
        103.31   1.154    855
    

KBr disc

  • DL-3-Aminoisobutyric acid(10569-72-9) IR1

nujol mull

  • DL-3-Aminoisobutyric acid(10569-72-9) IR1

4880 A,200 M,powder

  • DL-3-Aminoisobutyric acid(10569-72-9) IR1

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