D-Alanine(338-69-2) IR2
Molecular FormulaC3H7NO2
Molecular Weight89.09
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
InChIKey QNAYBMKLOCPYGJ-UWTATZPHSA-N
SmilesC(O)(=O)[C@@H](C)N
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MassMS-NW-0240 D-alanine C3H7NO2 (Mass of molecular ion: 89)
Source Temperature: 200 °C Sample Temperature: 0 °C Direct, 75 eV
15.0 3.5 18.0 16.4 26.0 1.3 27.0 4.5 28.0 12.9 29.0 1.5 40.0 2.0 41.0 3.4 42.0 11.5 43.0 3.8 44.0 100.0 45.0 3.5 46.0 1.9 74.0 2.5
90 MHz in D2O
400 MHz in D2O
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1H NMR 89.56 MHz C3 H7 N O2 0.038 g : 0.5 ml D2O D-alanine 
Assign. Shift(ppm)
B 3.783 C 1.482 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.350.13 3.910 95 342.81 3.828 283 335.56 3.747 301 328.44 3.668 116 140.81 1.573 31 136.25 1.522 1000 129.00 1.441 923 123.88 1.384 25
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1H NMR 399.65 MHz C3 H7 N O2 0.037 g : 0.5 ml D2O D-alanine Assign. Shift(ppm)
A 3.786 B 1.482 THE SOLVENT PEAK SUPPRESSED.
Hz ppm Int.1524.41 3.815 93 1517.09 3.797 294 1509.89 3.779 297 1502.56 3.760 94 595.83 1.491 1000 588.62 1.473 944
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
