Product NameDL-Threonine hydrate(2:1)
CAS6028-28-0
Molecular FormulaC4H9NO3
Molecular Weight119.12
InChIInChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/s3
InChIKey AYFVYJQAPQTCCC-SAIMQKSHNA-N
Smiles[C@H](N)(C(=O)O)[C@@H](O)C |&1:0,5,r|
Mass
MS-NW-0339 DL-threonine C4H9NO3 (Mass of molecular ion: 119)
Source Temperature: 190 °C Sample Temperature: 190 °C Direct, 75 eV
14.0 2.6 15.0 9.0 16.0 1.4 17.0 3.2 18.0 14.9 19.0 2.9 25.0 1.0 26.0 4.7 27.0 12.6 28.0 56.6 29.0 49.8 30.0 36.8 31.0 1.7 39.0 2.7 40.0 1.8 41.0 3.5 42.0 6.1 43.0 19.7 44.0 21.2 45.0 25.3 46.0 3.3 52.0 1.6 54.0 5.3 55.0 3.6 56.0 21.9 57.0 95.1 58.0 9.8 59.0 2.4 60.0 2.2 72.0 1.6 74.0 25.7 75.0 100.0 76.0 3.1 83.0 1.1 101.0 1.6 104.0 2.9
90 MHz in D2O
1H NMR | 89.56 MHz |
C4 H9 N O3 | 0.047 g : 0.5 ml D2O |
DL-threonine |
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Assign. Shift(ppm) |
Hz ppm Int.
394.13 4.401 39 389.25 4.347 47 387.56 4.328 119 382.63 4.273 141 380.94 4.254 133 376.06 4.199 146 374.31 4.180 54 369.56 4.127 46 324.31 3.622 513 321.81 3.594 46 319.44 3.567 448 122.50 1.368 1000 115.94 1.295 957
in D2O
KBr disc
nujol mull
DL-Threonine hydrate(2:1)(6028-28-0) IR1 Atlas of Related Products
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