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Back ChemicalBook Home>CAS DataBase List>144-98-9More Spectrum> allo-DL-Threonine(144-98-9) 1H NMR

allo-DL-Threonine(144-98-9) 1H NMR

Product Nameallo-DL-Threonine

CAS144-98-9

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-HRFVKAFMSA-N

SmilesC(O)(=O)[C@H]([C@@H](O)C)N


  • Mass

    MS-NW-5081          
    allo-DL-threonine
    C4H9NO3             (Mass of molecular ion:    119)
    

       Source Temperature: 180 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          14.0       1.6
          15.0       5.6
          17.0       1.0
          18.0       7.2
          19.0       4.4
          26.0       1.8
          27.0       8.3
          28.0      37.7
          29.0      50.8
          30.0      21.7
          31.0       1.9
          39.0       1.8
          41.0       2.0
          42.0       4.6
          43.0       9.9
          44.0       6.7
          45.0      24.5
          46.0       4.0
          47.0       1.1
          54.0       1.8
          55.0       1.5
          56.0      16.7
          57.0      95.1
          58.0      10.7
          59.0       3.0
          60.0       2.5
          72.0       1.5
          74.0      19.4
          75.0     100.0
          76.0       3.3
          77.0       1.6
         101.0       1.8
         104.0       3.0
    

parameter in D2O


  • 1H NMR 300 MHz
    C4 H9 N O3 0.047 g : 0.5 ml D2O
    allo-DL-threonine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.358 D(B) 3.848 D(C) 1.216 J(A,B) 3.9 J(A,C) 6.6 J(B,C) 0.

         Hz     ppm     Int.
    

       1319.31   4.398     41
       1315.39   4.385     46
       1312.72   4.376    123
       1308.81   4.363    130
       1306.14   4.354    126
       1302.22   4.341    131
       1299.55   4.332     46
       1295.64   4.319     45
       1156.34   3.854    342
       1152.45   3.841    325
        368.10   1.227   1000
        361.52   1.205    984
    

KBr disc



nujol mull



allo-DL-Threonine(144-98-9) 1H NMR Atlas of Related Products

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