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78-71-7

3,3-双(氯甲基)氧杂环丁烷(78-71-7)质谱(MS)

分子式:C5H8Cl2O

分子量: 155.02

InChI:InChI=1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2

InChIKey: CXURGFRDGROIKG-UHFFFAOYSA-N

Smiles:O1CC(CCl)(CCl)C1

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    Mass

    MS-IW-9180          
    3,3-bis(chloromethyl)oxetane
    C5H8Cl2O            (Mass of molecular ion:    154)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.0
          26.0       2.6
          27.0      18.1
          28.0       4.8
          29.0       7.4
          30.0       2.3
          31.0       2.4
          35.0       1.1
          36.0       5.7
          37.0       2.2
          38.0       3.8
          39.0      23.4
          40.0       3.2
          41.0       4.8
          49.0       9.2
          50.0       3.2
          51.0       9.6
          52.0       4.2
          53.0      69.1
          54.0       4.6
          55.0       1.9
          61.0       2.0
          62.0       8.3
          63.0       2.4
          64.0       3.2
          73.0       1.7
          75.0      18.5
          77.0       5.7
          82.0       1.2
          83.0       1.7
          87.0       2.1
          88.0     100.0
          89.0      51.5
          90.0      34.0
          91.0      16.2
         109.0       1.2
         124.0      20.8
         125.0       1.4
         126.0      13.3
         128.0       2.3
         136.0       1.4
    

parameter in CDCl3

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    1H NMR 300 MHz
    C5 H8 Cl2 O 0.05 ml : 0.5 ml CDCl3
    3,3-bis(chloromethyl)oxetane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.452 D(B) 3.949

         Hz     ppm     Int.
    

       1335.60   4.452   1000
       1184.70   3.949   1000
    

in CDCl3

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liquid film

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