Product NameDL-2-Aminobutyric acid
CAS2835-81-6
Molecular FormulaC4H9NO2
Molecular Weight103.12
InChIInChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKey QWCKQJZIFLGMSD-UHFFFAOYSA-N
SmilesC(O)(=O)C(N)CC

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

| 1H NMR | 89.56 MHz |
| C4 H9 N O2 | 0.043 g : 0.5 ml D2O |
| DL-2-amino-N-butyric acid | |
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Assign. Shift(ppm) |
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

KBr disc

nujol mull

4880 A,200 M,powder

DL-2-Aminobutyric acid(2835-81-6) IR1 Atlas of Related Products