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Back ChemicalBook Home>CAS DataBase List>107-41-5More Spectrum> 2-Methyl-2,4-pentanediol(107-41-5) 13C NMR

2-Methyl-2,4-pentanediol(107-41-5) 13C NMR

Molecular FormulaC6H14O2

Molecular Weight118.17

InChIInChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3

InChIKey SVTBMSDMJJWYQN-UHFFFAOYSA-N

SmilesCC(C)(O)CC(O)C


  • Mass

    MS-NW-5523          
    2-methyl-2,4-pentanediol
    C6H14O2             (Mass of molecular ion:    118)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       1.0
          15.0       5.6
          17.0       1.5
          18.0       7.7
          19.0       1.4
          26.0       1.3
          27.0       8.5
          28.0       3.3
          29.0       6.9
          31.0      11.4
          38.0       1.3
          39.0      11.4
          40.0       3.4
          41.0      35.2
          42.0      14.2
          43.0      70.7
          44.0       6.7
          45.0      28.8
          50.0       1.0
          51.0       1.3
          53.0       2.2
          54.0       1.3
          55.0       5.9
          56.0      43.0
          57.0      15.3
          58.0       3.8
          59.0     100.0
          60.0       3.8
          61.0      10.0
          67.0       6.7
          82.0       3.0
          85.0      12.2
         103.0       5.6
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C6 H14 O2 0.05 ml : 0.5 ml CDCl3
    2-methyl-2,4-pentanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.28 B 4.198 C *1 1.638 D *1 1.474 E *2 1.298 F *2 1.242 G 1.181

         Hz     ppm     Int.
    

       1709.96   4.279     82
       1692.26   4.235     38
       1690.19   4.230     37
       1686.04   4.219     71
       1683.96   4.214     74
       1681.52   4.208     39
       1679.81   4.204     80
       1677.73   4.198     77
       1675.29   4.192     73
       1673.22   4.187     79
       1671.75   4.184     39
       1669.19   4.177     69
       1666.99   4.172     66
        668.21   1.672     72
        657.47   1.646     74
        653.81   1.636    106
        643.07   1.610    105
        596.44   1.493    195
        594.24   1.487    201
        581.91   1.457    143
        579.71   1.451    131
        519.17   1.300    882
        509.64   1.276     40
        506.71   1.268     33
        503.54   1.260     47
        496.58   1.243   1000
        490.23   1.227     44
        488.04   1.222     35
        484.25   1.212     38
        475.10   1.189    787
        468.87   1.174    794
        462.65   1.158     30
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



2-Methyl-2,4-pentanediol(107-41-5) 13C NMR Atlas of Related Products

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