L-Valine(72-18-4) 1H NMR
Molecular FormulaC5H11NO2
Molecular Weight117.15
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKey KZSNJWFQEVHDMF-BYPYZUCNSA-N
SmilesC(O)(=O)[C@H](C(C)C)N
-
MassMS-NW-8153 L-valine C5H11NO2 (Mass of molecular ion: 117)
Source Temperature: 190 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.3 18.0 8.4 27.0 5.8 28.0 21.2 29.0 14.3 30.0 8.8 39.0 4.8 41.0 6.8 42.0 2.5 43.0 6.1 44.0 1.5 45.0 1.4 46.0 5.2 53.0 1.0 54.0 1.3 55.0 30.8 56.0 10.3 57.0 27.8 58.0 3.0 70.0 1.6 72.0 100.0 73.0 5.0 74.0 35.0 75.0 15.5
in D2O (PH 9.58)
in D2O (PH 6.73)
in D2O (PH 1.34)
KBr disc
nujol mull
4880 A,200 M,powder
1), 77K
