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626-62-0

碘环己烷(626-62-0)质谱(MS)

产品名称:碘环己烷

CAS:626-62-0

分子式:C6H11I

分子量: 210.06

InChI:InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2

InChIKey: FUCOMWZKWIEKRK-UHFFFAOYSA-N

Smiles:C1(I)CCCCC1

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    Mass

    MS-NW-1098          
    iodocyclohexane
    C6H11I              (Mass of molecular ion:    210)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          26.0       1.0
          27.0       9.2
          28.0       1.1
          29.0       8.8
          38.0       1.0
          39.0      13.7
          40.0       2.0
          41.0      42.8
          42.0       3.8
          43.0       3.8
          50.0       1.2
          51.0       2.1
          52.0       1.1
          53.0       5.2
          54.0       7.1
          55.0      82.2
          56.0       3.6
          67.0       6.0
          79.0       1.4
          81.0       2.3
          82.0       1.0
          83.0     100.0
          84.0       6.9
         127.0       2.4
         210.0      11.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H11 I 0.04 ml : 0.5 ml CDCl3
    iodocyclohexane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.370 B 2.09 C 1.88 to 1.19

         Hz     ppm     Int.
    

        404.50   4.517    229
        400.00   4.467    436
        397.13   4.435    107
        395.56   4.417    514
        391.31   4.370    736
        386.88   4.320    549
        382.56   4.272    348
        377.94   4.220    240
        188.13   2.101    889
        167.88   1.875    147
        167.56   1.871    159
        167.25   1.868    166
        145.13   1.621   1000
        138.25   1.544    947
        126.56   1.414    711
    

in CDCl3

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CCl4 solution

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liquid film

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