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493-01-6

顺式十氢化萘(493-01-6)核磁图(1HNMR)

产品名称:顺式十氢化萘

CAS:493-01-6

分子式:C10H18

分子量: 138.25

InChI:InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+

InChIKey: NNBZCPXTIHJBJL-AOOOYVTPSA-N

Smiles:C1[C@@]2([H])[C@]([H])(CCCC2)CCC1

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    Mass

    MS-NW-2221          
    cis-decahydronaphthalene
    C10H18              (Mass of molecular ion:    138)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       1.0
          27.0      12.8
          28.0       1.0
          29.0      11.1
          39.0      18.5
          40.0       3.2
          41.0      43.8
          42.0       3.8
          43.0       3.9
          51.0       2.7
          52.0       1.6
          53.0      10.9
          54.0      19.2
          55.0      34.1
          56.0       3.2
          57.0       1.1
          65.0       3.3
          66.0       6.4
          67.0      90.8
          68.0      36.5
          69.0      18.7
          70.0       2.4
          77.0       4.3
          78.0       1.2
          79.0       8.8
          80.0       6.3
          81.0      86.3
          82.0      69.5
          83.0      11.7
          91.0       2.2
          93.0       2.8
          94.0       3.0
          95.0      50.8
          96.0     100.0
          97.0      11.0
         108.0       1.1
         109.0      32.4
         110.0       9.3
         123.0       1.2
         138.0      84.8
         139.0       9.4
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H18 0.04 ml : 0.5 ml CDCl3
    cis-decahydronaphthalene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.62 B 1.82 to 1.07

         Hz     ppm     Int.
    

        162.31   1.813     26
        161.63   1.805     29
        159.06   1.777     50
        158.06   1.765     62
        156.94   1.753     72
        144.50   1.614    529
        139.13   1.554    377
        133.75   1.494    687
        133.25   1.488    690
        128.31   1.433    998
        127.81   1.428   1000
        126.94   1.418    993
        126.50   1.413    995
        126.19   1.409    993
        115.63   1.292    302
        114.88   1.283    307
        101.88   1.138     46
        100.19   1.119     34
         99.63   1.113     28
    

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    1H NMR 399.65 MHz
    C10 H18 0.023 g : 0.5 ml CDCl3
    cis-decahydronaphthalene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.65 B *1 1.52 C *1 1.31 ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

        685.42   1.716     27
        660.40   1.653    567
        610.96   1.529   1000
        523.32   1.310    989
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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