DL-3-Aminoisobutyric acid(10569-72-9) ¹H NMR

Product NameDL-3-Aminoisobutyric acid

CAS 10569-72-9

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

Request For Quotation

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

¹H NMR	89.56 MHz
C₄ H₉ N O₂	0.046 g : 0.5 ml D₂O
(+-)-3-amino-2-methylpropionic acid

    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