D-2-Aminobutyric acid(2623-91-8) MS
Product NameD-2-Aminobutyric acid
CAS2623-91-8
Molecular FormulaC4H9NO2
Molecular Weight103.12
InChIInChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
InChIKey QWCKQJZIFLGMSD-GSVOUGTGSA-N
SmilesC(O)(=O)[C@H](N)CC
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MassMS-IW-8654 D-2-aminobutyric acid C4H9NO2 (Mass of molecular ion: 103)
Source Temperature: 180 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 4.9 27.0 3.1 28.0 20.3 29.0 4.1 30.0 6.7 39.0 2.3 41.0 24.2 42.0 4.1 43.0 5.4 44.0 1.7 45.0 1.6 46.0 2.5 54.0 1.7 56.0 7.6 57.0 3.0 58.0 100.0 59.0 4.8 74.0 29.7
400 MHz in D2O
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1H NMR 399.65 MHz C4 H9 N O2 0.038 g : 0.5 ml D2O D-2-aminobutyric acid 
Assign. Shift(ppm)
A 3.715 B 1.900 C 0.982 THE SOLVENT PEAK SUPPRESSED.
Hz ppm Int.1490.84 3.731 178 1484.74 3.716 301 1479.13 3.702 178 775.63 1.941 64 773.56 1.936 65 768.07 1.922 178 766.11 1.917 182 762.57 1.909 179 759.77 1.902 250 758.79 1.899 230 755.00 1.890 161 752.20 1.883 182 747.44 1.871 63 744.75 1.864 65 408.45 1.023 23 400.15 1.002 531 392.58 0.983 1000 385.01 0.964 468 378.42 0.947 24
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
