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Back ChemicalBook Home>CAS DataBase List>141-79-7More Spectrum> Mesityl oxide(141-79-7) 13C NMR

Mesityl oxide(141-79-7) 13C NMR

Product NameMesityl oxide

CAS141-79-7

Molecular FormulaC6H10O

Molecular Weight98.14

InChIInChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3

InChIKey SHOJXDKTYKFBRD-UHFFFAOYSA-N

SmilesCC(=O)/C=C(/C)\C


  • Mass

    MS-NW-0029          
    4-methyl-3-penten-2-one
    C6H10O              (Mass of molecular ion:     98)
    

       Source Temperature: 220 °C
       Sample Temperature:  65 °C
       Reservoir, 75 eV
    

          15.0       4.3
          18.0       1.5
          26.0       1.5
          27.0      13.8
          28.0       2.4
          29.0      22.7
          31.0       2.5
          37.0       1.0
          38.0       2.5
          39.0      19.9
          40.0       2.2
          41.0       7.6
          42.0       2.4
          43.0      40.5
          44.0       1.0
          50.0       2.6
          51.0       3.3
          52.0       1.3
          53.0       9.1
          54.0       1.7
          55.0      85.0
          56.0       4.6
          58.0       1.5
          59.0       6.8
          79.0       1.9
          82.0       1.2
          83.0     100.0
          84.0       5.6
          98.0      53.6
          99.0       3.9
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H10 O 0.04 ml : 0.5 ml CDCl3
    4-methyl-3-penten-2-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.090 B 2.161 C 2.137 D 1.885

         Hz     ppm     Int.
    

        547.94   6.119     36
        546.94   6.107     70
        546.56   6.103     72
        545.63   6.093     94
        544.31   6.078     74
        542.94   6.063     37
        193.56   2.162   1000
        192.00   2.144    479
        190.75   2.130    478
        169.56   1.894    447
        168.25   1.879    459
    

in CDCl3



CCl4 solution



liquid film





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