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Back ChemicalBook Home>CAS DataBase List>627-30-5More Spectrum> 3-Chloro-1-propanol(627-30-5) 1H NMR

3-Chloro-1-propanol(627-30-5) 1H NMR

Product Name3-Chloro-1-propanol

CAS627-30-5

Molecular FormulaC3H7ClO

Molecular Weight94.54

InChIInChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2

InChIKey LAMUXTNQCICZQX-UHFFFAOYSA-N

SmilesC(O)CCCl


  • Mass

    MS-NW-5063          
    3-chloro-1-propanol
    C3H7ClO             (Mass of molecular ion:     94)
    

       Source Temperature: 270 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       2.4
          18.0       1.3
          19.0       1.7
          25.0       1.0
          26.0       7.6
          27.0      26.1
          28.0      80.5
          29.0      22.9
          30.0      31.8
          31.0      97.8
          32.0       1.0
          35.0       1.1
          36.0       5.9
          37.0       1.5
          38.0       2.1
          39.0       8.0
          40.0       3.6
          41.0      19.8
          42.0       1.4
          43.0       4.9
          44.0       1.0
          45.0       3.4
          49.0       5.0
          51.0       1.6
          55.0       1.1
          57.0      53.4
          58.0     100.0
          59.0       4.3
          61.0       1.0
          62.0       1.5
          63.0       3.6
          64.0       2.1
          65.0       1.8
          76.0      16.2
          77.0       1.6
          78.0       5.4
          93.0       1.4
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C3 H7 Cl O 0.02 ml : 0.5 ml CDCl3
    3-chloro-1-propanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.808 B 3.683 C 2.19 D 2.017

         Hz     ppm     Int.
    

        346.94   3.874    214
        341.00   3.808    390
        336.19   3.754    205
        335.13   3.742    249
        329.81   3.683    371
        323.50   3.613    241
        196.25   2.192   1000
        192.31   2.148     56
        192.00   2.144     51
        186.00   2.077    176
        180.31   2.014    178
        179.81   2.008    214
        173.81   1.941    144
        167.88   1.875     41
        167.44   1.870     36
    

in CDCl3



liquid film





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