DL-Alanine(302-72-7) Raman
Product NameDL-Alanine
CAS302-72-7
Molecular FormulaC3H7NO2
Molecular Weight89.09
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKey QNAYBMKLOCPYGJ-REOHCLBHSA-N
SmilesC(O)(=O)[C@H](C)N
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MassMS-NW-0284 DL-alanine C3H7NO2 (Mass of molecular ion: 89)
Source Temperature: 180 °C Sample Temperature: 0 °C Direct, 75 eV
15.0 2.6 18.0 15.6 27.0 3.8 28.0 12.3 29.0 1.3 40.0 1.7 41.0 2.9 42.0 11.2 43.0 3.7 44.0 100.0 45.0 3.2 46.0 1.7 74.0 2.4
90 MHz in D2O
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1H NMR 89.56 MHz C3 H7 N O2 0.045 g : 0.5 ml D2O DL-alanine 
Assign. Shift(ppm)
B 3.780 C 1.481 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.350.06 3.909 86 342.75 3.828 277 337.75 3.772 24 335.50 3.747 302 328.38 3.667 118 136.19 1.521 1000 132.63 1.481 79 129.00 1.441 932 123.19 1.376 31 122.38 1.367 27 122.00 1.363 25
in D2O
KBr disc
nujol mull
COPPER(II) COMPLEX, IN H2O/CH3OH, 77K
