DL-2-Aminobutyric acid(2835-81-6) IR1
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
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MassMS-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 
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
KBr disc
nujol mull
4880 A,200 M,powder
