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507-40-4

次氯酸叔丁酯(507-40-4)核磁图(1HNMR)

产品名称:次氯酸叔丁酯

CAS:507-40-4

分子式:C4H9ClO

分子量: 108.57

InChI:InChI=1S/C4H9ClO/c1-4(2,3)6-5/h1-3H3

InChIKey: IXZDIALLLMRYOU-UHFFFAOYSA-N

Smiles:ClOC(C)(C)C

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    Mass

    MS-NW-4351          
    tert-butyl hypochlorite
    C4H9ClO             (Mass of molecular ion:    108)
    

       Source Temperature: 220 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.1
          15.0       7.3
          18.0       1.4
          26.0       2.2
          27.0       9.5
          29.0      12.3
          31.0      23.1
          36.0       1.0
          37.0       1.4
          38.0       1.8
          39.0       8.1
          40.0       1.1
          41.0      20.0
          42.0       3.9
          43.0      50.0
          44.0       1.6
          47.0       1.8
          48.0       1.0
          49.0       4.8
          50.0       6.3
          51.0       1.6
          52.0       2.0
          53.0       1.1
          55.0       3.8
          56.0       2.4
          57.0      11.6
          58.0       4.0
          59.0     100.0
          60.0       3.7
          62.0       1.0
          63.0       2.1
          73.0       1.8
          77.0       2.6
          83.0       2.3
          84.0       1.4
          85.0       1.6
          91.0       1.4
          93.0      14.4
          95.0       4.4
         117.0       1.6
         119.0       1.3
         125.0       1.0
         127.0       1.5
    

parameter in CDCl3

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    1H NMR 300 MHz
    C4 H9 Cl O 0.05 ml : 0.5 ml CDCl3
    tert-butyl hypochlorite
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.333

         Hz     ppm     Int.
    

        399.90   1.333   1000
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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