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Back ChemicalBook Home>CAS DataBase List>563-80-4More Spectrum> 3-Methyl-2-butanone(563-80-4) 13C NMR

3-Methyl-2-butanone(563-80-4) 13C NMR

Product Name3-Methyl-2-butanone

CAS563-80-4

Molecular FormulaC5H10O

Molecular Weight86.13

InChIInChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3

InChIKey SYBYTAAJFKOIEJ-UHFFFAOYSA-N

SmilesCC(=O)C(C)C


  • Mass

    MS-NW-0051          
    3-methyl-2-butanone
    C5H10O              (Mass of molecular ion:     86)
    

       Source Temperature: 230 °C
       Sample Temperature:  55 °C
       Reservoir, 75 eV
    

          14.0       1.6
          15.0       9.8
          26.0       3.1
          27.0      19.3
          28.0       3.1
          29.0       3.5
          37.0       1.4
          38.0       2.9
          39.0      16.3
          40.0       2.1
          41.0      26.2
          42.0       4.9
          43.0     100.0
          44.0       2.4
          45.0       1.3
          50.0       1.3
          51.0       1.1
          57.0       3.7
          71.0       6.9
          86.0      22.6
          87.0       1.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C5 H10 O 0.02 ml : 0.5 ml CDCl3
    3-methyl-2-butanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.111 B 2.141 C 2.584

         Hz     ppm     Int.
    

        240.00   2.680     46
        233.00   2.602     65
        226.13   2.525     55
        219.31   2.449     29
        191.63   2.140    951
        102.50   1.145   1000
         95.56   1.067    864
         89.56   1.000     24
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



3-Methyl-2-butanone(563-80-4) 13C NMR Atlas of Related Products

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