Product NameDL-3-Aminoisobutyric acid
CAS10569-72-9
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
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 |
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Assign. Shift(ppm) |
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
nujol mull
4880 A,200 M,powder
DL-3-Aminoisobutyric acid(10569-72-9) Raman Atlas of Related Products
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