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3153-36-4

乙基4-氯丁酸酯(3153-36-4)Raman光谱

产品名称:乙基4-氯丁酸酯

CAS:3153-36-4

分子式:C6H11ClO2

分子量: 150.6

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

InChIKey: OPXNFHAILOHHFO-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCCl

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    Mass

    MS-NW-3086          
    ethyl 4-chlorobutyrate
    C6H11ClO2           (Mass of molecular ion:    150)
    

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

          14.0       1.0
          15.0       3.5
          26.0       4.1
          27.0      24.5
          28.0       9.8
          29.0      63.5
          30.0       1.4
          31.0       2.3
          36.0       1.1
          38.0       1.5
          39.0      12.8
          40.0       2.8
          41.0      57.8
          42.0      23.6
          43.0      13.3
          44.0       1.3
          45.0      26.4
          49.0       7.1
          51.0       2.2
          55.0       4.9
          57.0       1.0
          60.0      35.2
          61.0      12.8
          63.0       1.0
          69.0       2.8
          70.0       9.3
          73.0       6.8
          75.0       1.3
          76.0       1.6
          77.0      28.8
          78.0       2.2
          79.0       9.1
          85.0       1.2
          86.0       1.3
          87.0      19.1
          88.0      96.6
          89.0       4.5
         101.0       8.3
         104.0       1.4
         105.0     100.0
         106.0       5.1
         107.0      32.6
         108.0       1.5
         115.0       9.1
         123.0       9.8
         125.0       3.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H11 Cl O2 0.05 ml : 0.5 ml CDCl3
    ethyl 4-chlorobutyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.142 B 3.599 C 2.48 D 2.10 E 1.266

         Hz     ppm     Int.
    

        382.00   4.266    112
        374.81   4.186    366
        367.69   4.106    385
        360.63   4.027    132
        329.00   3.674    249
        322.75   3.604    516
        316.50   3.534    321
        231.56   2.586     86
        229.94   2.568     87
        224.88   2.511    103
        223.00   2.490    247
        217.13   2.425    207
        216.06   2.413    193
        200.50   2.239     65
        199.13   2.224     63
        194.00   2.167    147
        193.50   2.161    148
        191.38   2.137     47
        187.38   2.093    187
        185.25   2.069     85
        180.94   2.021    102
        178.75   1.996     61
        120.25   1.343    488
        113.19   1.264   1000
        106.00   1.184    428
    

in CDCl3

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liquid film

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