4-Aminobutyric acid(56-12-2) 1H NMR
Product Name4-Aminobutyric acid
CAS56-12-2
Molecular FormulaC4H9NO2
Molecular Weight103.12
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKey BTCSSZJGUNDROE-UHFFFAOYSA-N
SmilesC(O)(=O)CCCN
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MassMS-NW-6199 4-amino-n-butyric acid C4H9NO2 (Mass of molecular ion: 103)
Source Temperature: 160 °C Sample Temperature: 110 °C Direct, 75 eV
17.0 1.6 18.0 6.9 26.0 1.7 27.0 4.5 28.0 12.5 29.0 3.3 30.0 100.0 31.0 2.2 39.0 2.7 40.0 1.8 41.0 9.8 42.0 8.9 43.0 14.0 44.0 9.8 45.0 2.2 55.0 1.3 56.0 4.5 57.0 1.1 69.0 1.4 84.0 4.5 85.0 11.7 86.0 1.5 103.0 5.7
90 MHz in D2O
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1H NMR 89.56 MHz C4 H9 N O2 0.046 g : 0.5 ml D2O 4-amino-N-butyric acid 
Assign. Shift(ppm)
A 3.015 B 2.280 C 1.906 SOLVENT PEAK REMOVED
Hz ppm Int.278.05 3.105 550 270.87 3.025 1000 263.35 2.941 769 214.56 2.396 297 213.02 2.379 304 206.27 2.304 872 199.78 2.231 770 199.18 2.224 761 184.57 2.061 226 183.12 2.045 214 176.54 1.972 471 169.62 1.894 582 162.61 1.816 314 161.24 1.801 261 155.77 1.740 91 153.98 1.720 77
in D2O
KBr disc
nujol mull
