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Back ChemicalBook Home>CAS DataBase List>78-95-5More Spectrum> Chloroacetone(78-95-5) 13C NMR

Chloroacetone(78-95-5) 13C NMR

Product NameChloroacetone

CAS78-95-5

Molecular FormulaC3H5ClO

Molecular Weight92.52

InChIInChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3

InChIKey BULLHNJGPPOUOX-UHFFFAOYSA-N

SmilesC(Cl)C(=O)C


  • Mass

    MS-NW-3193          
    chloroacetone
    C3H5ClO             (Mass of molecular ion:     92)
    

       Source Temperature: 290 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.6
          15.0      10.2
          26.0       2.0
          27.0       5.3
          28.0       1.2
          29.0       2.9
          39.0       1.2
          42.0       6.0
          43.0     100.0
          44.0       2.3
          49.0       7.2
          51.0       2.3
          57.0       1.8
          77.0       1.8
          92.0       6.6
          94.0       2.1
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C3 H5 Cl O 0.05 ml : 0.5 ml CDCl3
    chloroacetone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.126 B 2.306

         Hz     ppm     Int.
    

        369.63   4.128    559
        206.56   2.307   1000
        203.44   2.272     21
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



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