L-Threonine(72-19-5) 13C NMR
Product NameL-Threonine
CAS72-19-5
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+/m1/s1
InChIKey AYFVYJQAPQTCCC-GBXIJSLDSA-N
SmilesC(O)(=O)[C@H]([C@H](O)C)N
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MassMS-NW-8147 L-threonine C4H9NO3 (Mass of molecular ion: 119)
Source Temperature: 190 °C Sample Temperature: 170 °C Direct, 75 eV
15.0 3.5 17.0 1.1 18.0 9.3 19.0 3.4 26.0 1.2 27.0 7.8 28.0 38.6 29.0 57.9 30.0 20.0 31.0 1.8 39.0 1.3 41.0 1.9 42.0 4.5 43.0 8.9 44.0 6.2 45.0 25.6 46.0 3.4 54.0 1.3 55.0 1.1 56.0 17.5 57.0 100.0 58.0 9.9 59.0 2.2 60.0 2.1 72.0 1.4 74.0 29.0 75.0 93.7 76.0 3.0 101.0 1.2 104.0 2.5
in D2O (PH 9.27)
in D2O (PH 5.87)
in D2O (PH 1.36)
KBr disc
nujol mull
