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Back ChemicalBook Home>CAS DataBase List>4437-51-8More Spectrum> 3,4-Hexanedione(4437-51-8) 13C NMR

4437-51-8

3,4-Hexanedione(4437-51-8) 13C NMR

Product Name3,4-Hexanedione

CAS4437-51-8

Molecular FormulaC6H10O2

Molecular Weight114.14

InChIInChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3

InChIKey KVFQMAZOBTXCAZ-UHFFFAOYSA-N

SmilesCCC(=O)C(=O)CC

  • 3,4-Hexanedione(4437-51-8) <sup>13</sup>C NMR
    Mass

    MS-NW-4263          
    bipropionyl
    C6H10O2             (Mass of molecular ion:    114)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.4
          26.0       2.9
          27.0      15.5
          28.0       4.9
          29.0      75.0
          30.0       2.1
          39.0       1.1
          41.0       2.3
          42.0       1.2
          43.0       1.7
          55.0       1.4
          56.0       1.2
          57.0     100.0
          58.0       4.3
          69.0       1.8
         114.0       9.7
         153.0       3.2
    

90 MHz in CDCl3

  • 3,4-Hexanedione(4437-51-8) <sup>13</sup>C NMR

    1H NMR 89.56 MHz
    C6 H10 O2 0.04 ml : 0.5 ml CDCl3
    bipropionyl
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.777 B 1.095

         Hz     ppm     Int.
    

        260.44   2.908    124
        259.94   2.903    120
        252.81   2.823    453
        246.06   2.748    302
        245.50   2.742    521
        238.69   2.666    173
        238.25   2.661    165
        104.69   1.169    510
        103.38   1.155     59
        102.50   1.145     28
         97.63   1.091   1000
         95.38   1.065     35
         90.25   1.008    406
    

in CDCl3

  • 3,4-Hexanedione(4437-51-8) <sup>13</sup>C NMR

CCl4 solution

  • 3,4-Hexanedione(4437-51-8) <sup>13</sup>C NMR

liquid film

  • 3,4-Hexanedione(4437-51-8) <sup>13</sup>C NMR

3,4-Hexanedione(4437-51-8) 13C NMR Atlas of Related Products

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