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Back ChemicalBook Home>CAS DataBase List>108-12-3More Spectrum> Isovaleryl chloride(108-12-3) IR1

Isovaleryl chloride(108-12-3) IR1

Product NameIsovaleryl chloride

CAS108-12-3

Molecular FormulaC5H9ClO

Molecular Weight120.58

InChIInChI=1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3

InChIKey ISULZYQDGYXDFW-UHFFFAOYSA-N

SmilesC(Cl)(=O)CC(C)C


  • Mass

    MS-NW-3537          
    isovaleryl chloride
    C5H9ClO             (Mass of molecular ion:    120)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       2.1
          15.0       6.1
          26.0       3.2
          27.0      27.8
          28.0       2.4
          29.0      32.0
          36.0       4.2
          37.0       2.1
          38.0       4.2
          39.0      29.6
          40.0       5.9
          41.0     100.0
          42.0      27.4
          43.0      55.0
          44.0       1.9
          49.0       1.6
          50.0       1.6
          51.0       1.5
          53.0       2.0
          55.0       6.9
          56.0      12.4
          57.0      67.0
          58.0       2.9
          60.0       2.0
          63.0       4.6
          65.0       1.4
          69.0      19.8
          70.0       1.1
          77.0       5.7
          78.0      17.6
          79.0       3.3
          80.0       5.8
          84.0       9.3
          85.0      55.4
          86.0       3.1
          92.0       6.2
          94.0       2.2
         105.0       6.4
         107.0       2.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C5 H9 Cl O 0.04 ml : 0.5 ml CDCl3
    isovaleryl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.759 B 2.219 C 1.012 J(B,C)=6.6HZ.

         Hz     ppm     Int.
    

        251.44   2.808    199
        250.88   2.802    315
        244.13   2.726    387
        212.31   2.371     24
        205.94   2.300     43
        199.13   2.224     51
        198.50   2.217     35
        192.63   2.151     45
        191.75   2.142     30
        186.19   2.079     21
        185.25   2.069     25
         93.56   1.045   1000
         89.69   1.002     31
         89.56   1.000     31
         87.00   0.972    814
    

in CDCl3



liquid film



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