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Back ChemicalBook Home>CAS DataBase List>36765-89-6More Spectrum> 2-ETHYLHEXANOIC ANHYDRIDE(36765-89-6) 13C NMR

2-ETHYLHEXANOIC ANHYDRIDE(36765-89-6) 13C NMR

Molecular FormulaC16H30O3

Molecular Weight270.41

InChIInChI=1S/C16H30O3/c1-5-9-11-13(7-3)15(17)19-16(18)14(8-4)12-10-6-2/h13-14H,5-12H2,1-4H3

InChIKey TVPCUVQDVRZTAL-UHFFFAOYSA-N

SmilesC(CC)(CCCC)C(=O)OC(=O)C(CC)CCCC


  • Mass

    MS-IW-3827          
    2-ethylhexanoic anhydride
    C16H30O3            (Mass of molecular ion:    270)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       3.1
          29.0       5.7
          39.0       2.4
          41.0      12.7
          42.0       2.5
          43.0      12.9
          55.0      11.6
          56.0       3.6
          57.0      78.3
          58.0       3.7
          69.0       2.0
          70.0       3.7
          71.0       1.0
          73.0       3.8
          83.0       2.5
          88.0       4.1
          98.0       2.1
          99.0      37.4
         100.0       2.9
         126.0       1.1
         127.0     100.0
         128.0       9.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C16 H30 O3 0.05 ml : 0.5 ml CDCl3
    2-ethylhexanoic anhydride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.364 B *1 1.69 C *2 1.65 D *1 1.58 E *2 1.51 F 1.37 to 1.29 G 0.968 J 0.900 ASSIGNED BY H-H COSY.

         Hz     ppm     Int.
    

        959.11   2.400     40
        953.61   2.387     87
        950.68   2.379     90
        948.24   2.373     62
        945.19   2.366    174
        942.26   2.358     65
        939.70   2.352    102
        936.77   2.344    102
        931.27   2.331     52
        692.50   1.733     58
        686.16   1.717     55
        684.94   1.714     86
        684.33   1.713     84
        678.71   1.699    145
        676.76   1.694    103
        674.56   1.688     54
        671.14   1.680    170
        670.53   1.678    178
        662.96   1.659    153
        658.81   1.649     55
        655.64   1.641     70
        654.17   1.637     62
        650.88   1.629     34
        648.56   1.623     46
        646.61   1.618     99
        641.11   1.605    103
        639.16   1.600    111
        633.54   1.586    118
        627.32   1.570     64
        625.49   1.566     82
        619.87   1.552     79
        617.92   1.547     75
        616.21   1.542     54
        614.14   1.537     49
        612.43   1.533     80
        610.72   1.529     70
        608.64   1.523     61
        606.69   1.519     48
        605.22   1.515     53
        603.27   1.510     71
        597.66   1.496     48
        595.21   1.490     33
        546.75   1.369     48
        538.94   1.349    162
        536.13   1.342    255
        534.55   1.338    268
        531.62   1.331    363
        529.05   1.324    310
        527.47   1.320    269
        523.93   1.311    179
        520.51   1.303    113
        515.99   1.292     50
        394.29   0.987    545
        386.84   0.968   1000
        379.39   0.950    529
        368.77   0.923     69
        366.94   0.919    244
        365.36   0.915    150
        362.67   0.908    205
        361.57   0.905    223
        359.99   0.901    627
        357.67   0.895    254
        354.49   0.888    175
        352.78   0.883    242
    

in CDCl3



liquid film



2-ETHYLHEXANOIC ANHYDRIDE(36765-89-6) 13C NMR Atlas of Related Products

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