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1192-37-6

亚甲基环己烷(1192-37-6)核磁图(13CNMR)

产品名称:亚甲基环己烷

CAS:1192-37-6

分子式:C7H12

分子量: 96.17

InChI:InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2

InChIKey: YULMNMJFAZWLLN-UHFFFAOYSA-N

Smiles:C1(=C)CCCCC1

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    Mass

    MS-NW-3425          
    methylenecyclohexane
    C7H12               (Mass of molecular ion:     96)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.3
          26.0       2.2
          27.0      17.4
          28.0       3.0
          29.0       8.0
          37.0       1.2
          38.0       3.1
          39.0      35.0
          40.0       9.4
          41.0      23.6
          42.0       4.5
          50.0       3.0
          51.0       5.6
          52.0       3.2
          53.0      21.5
          54.0      47.0
          55.0      41.1
          56.0       3.1
          62.0       1.0
          63.0       1.9
          65.0       4.9
          66.0       6.7
          67.0      74.4
          68.0      53.0
          69.0       3.2
          77.0       4.8
          78.0       1.2
          79.0      10.3
          80.0       1.9
          81.0     100.0
          82.0       6.6
          83.0       1.3
          91.0       1.7
          93.0       1.1
          95.0       8.5
          96.0      46.3
          97.0       3.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H12 0.04 ml : 0.5 ml CDCl3
    methylenecyclohexane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.574 B 2.11 C 1.78 to 1.30

         Hz     ppm     Int.
    

        410.63   4.585    534
        409.75   4.576    767
        408.81   4.565    556
        407.94   4.555    186
        195.13   2.179    160
        190.13   2.123    327
        186.06   2.078    225
        185.38   2.070    225
        148.56   1.659     35
        148.25   1.656     36
        143.69   1.605    147
        141.13   1.576    286
        137.44   1.535   1000
        135.69   1.516    523
        133.75   1.494    302
        133.31   1.489    295
        126.50   1.413     33
        123.31   1.377     30
    

in CDCl3

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liquid film

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