D-Threonine (632-20-2) 1H NMR
Product NameD-Threonine
CAS632-20-2
Molecular FormulaC4H9NO3
Molecular Weight119.12
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1
InChIKey AYFVYJQAPQTCCC-STHAYSLISA-N
SmilesC(O)(=O)[C@@H]([C@@H](O)C)N
-
MassMS-NW-4996 D-threonine C4H9NO3 (Mass of molecular ion: 119)
Source Temperature: 200 °C Sample Temperature: 170 °C Direct, 75 eV
12.0 1.0 13.0 1.7 14.0 5.9 15.0 16.5 16.0 2.2 17.0 4.3 18.0 22.0 19.0 5.7 25.0 1.0 26.0 5.6 27.0 18.5 28.0 73.0 29.0 77.0 30.0 38.0 31.0 2.2 39.0 2.2 40.0 1.6 41.0 3.5 42.0 7.3 43.0 17.4 44.0 21.0 45.0 28.4 46.0 4.2 54.0 3.3 55.0 2.2 56.0 20.6 57.0 100.0 58.0 10.3 59.0 2.3 60.0 2.7 72.0 1.6 74.0 25.8 75.0 88.2 76.0 2.9 101.0 1.3 104.0 2.5
in D2O
KBr disc
nujol mull
