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Back ChemicalBook Home>CAS DataBase List>344-25-2More Spectrum> D-Proline(344-25-2) 1H NMR

D-Proline(344-25-2) 1H NMR

Product NameD-Proline

CAS344-25-2

Molecular FormulaC5H9NO2

Molecular Weight115.13

InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1

InChIKey ONIBWKKTOPOVIA-SCSAIBSYSA-N

SmilesC(O)(=O)[C@H]1CCCN1


  • Mass

    MS-IW-2642          
    D-(+)-proline
    C5H9NO2             (Mass of molecular ion:    115)
    

       Source Temperature: 190 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          15.0       1.1
          27.0       3.3
          28.0      20.4
          29.0       1.0
          30.0       2.8
          39.0       5.3
          40.0       1.7
          41.0      19.5
          42.0       5.7
          43.0      20.8
          44.0       1.3
          45.0       1.6
          68.0       9.9
          69.0       5.7
          70.0     100.0
          71.0       5.4
          87.0       1.1
         115.0       1.2
    

400 MHz in D2O


  • 1H NMR 399.65 MHz
    C5 H9 N O2 0.042 g : 0.5 ml D2O
    D-(+)-proline
    ChemicalStructure
        Assign.     Shift(ppm)
    B 4.132 C *1 3.424 D *1 3.343 E *2 2.352 F *2 2.07 G 2.05 to 1.98 ASSIGNED BY H-H COSY. THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

       1659.30   4.152    610
       1653.20   4.137    768
       1650.63   4.131    891
       1647.34   4.122     53
       1644.17   4.115    898
       1383.54   3.462    241
       1376.46   3.445    433
       1376.22   3.444    433
       1371.95   3.433    473
       1370.12   3.429    272
       1369.38   3.427    266
       1364.62   3.415    759
       1357.79   3.398    369
       1347.29   3.372    598
       1344.48   3.365     35
       1340.09   3.354   1000
       1335.57   3.342    372
       1333.01   3.336    466
       1328.61   3.325    484
       1323.36   3.312     96
       1321.41   3.307    246
        958.50   2.399    153
        950.93   2.380    271
        945.07   2.365    342
        942.50   2.359    215
        938.84   2.350    478
        936.89   2.345    325
        936.52   2.344    324
        932.01   2.333    261
        930.18   2.328    429
        924.07   2.313    137
        846.19   2.118    157
        839.72   2.102    378
        838.62   2.099    312
        832.03   2.082    574
        825.93   2.067    458
        825.44   2.066    462
        822.39   2.058    137
        820.56   2.054    328
        818.48   2.048    553
        817.99   2.047    560
        815.55   2.041    454
        813.48   2.036    462
        811.89   2.032    832
        809.33   2.026    678
        805.18   2.015    833
        801.64   2.006    710
        798.95   2.000    563
        794.19   1.988    513
        791.75   1.982    201
        788.70   1.974    137
        787.23   1.970    187
        781.49   1.956     65
        781.25   1.955     65
    

in D2O



KBr disc



nujol mull





D-Proline(344-25-2) 1H NMR Atlas of Related Products

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