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Back ChemicalBook Home>CAS DataBase List>590-02-3More Spectrum> Butyl 2-chloroacetate(590-02-3) 1H NMR

Butyl 2-chloroacetate(590-02-3) 1H NMR

Molecular FormulaC6H11ClO2

Molecular Weight150.6

InChIInChI=1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3

InChIKey YJRGMUWRPCPLNH-UHFFFAOYSA-N

SmilesC(OCCCC)(=O)CCl


  • Mass

    MS-NW-2174          
    butyl chloroacetate
    C6H11ClO2           (Mass of molecular ion:    150)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       1.8
          15.0       2.2
          18.0       1.9
          26.0       2.0
          27.0      16.6
          28.0       9.2
          29.0      55.3
          30.0       1.2
          31.0       3.9
          39.0       9.1
          40.0       2.0
          41.0      68.3
          42.0      10.3
          43.0      10.9
          44.0       1.4
          49.0      15.5
          51.0       5.2
          55.0      13.1
          56.0     100.0
          57.0      86.0
          58.0       3.8
          60.0       1.7
          71.0       3.7
          73.0       1.5
          76.0       1.6
          77.0      42.9
          78.0       1.5
          79.0      13.2
          95.0       5.9
          97.0       1.8
         107.0       6.4
         109.0       2.1
         121.0       1.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H11 Cl O2 0.04 ml : 0.5 ml CDCl3
    butyl chloroacetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.20 B 4.062 C 1.66 D 1.39 E 0.96

         Hz     ppm     Int.
    

        382.44   4.271    109
        375.94   4.198    268
        369.50   4.126    150
        363.81   4.063   1000
        155.81   1.740     37
        149.13   1.666     73
        147.00   1.642     47
        142.56   1.592     72
        142.06   1.587     77
        141.63   1.582     75
        140.44   1.569     36
        139.50   1.558     48
        136.63   1.526     62
        135.44   1.513     70
        130.81   1.461     45
        129.25   1.444     59
        127.50   1.424     64
        123.50   1.379     49
        120.75   1.349     59
        114.25   1.276     53
         92.19   1.030     94
         91.06   1.017    138
         90.44   1.010    132
         84.63   0.945    309
         83.25   0.930    100
         78.44   0.876     50
         77.19   0.862     63
         75.25   0.841     30
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



Butyl 2-chloroacetate(590-02-3) 1H NMR Atlas of Related Products

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