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Back ChemicalBook Home>CAS DataBase List>592-57-4More Spectrum> 1,3-CYCLOHEXADIENE(592-57-4) MS

592-57-4

1,3-CYCLOHEXADIENE(592-57-4) MS

Product Name1,3-CYCLOHEXADIENE

CAS592-57-4

Molecular FormulaC6H8

Molecular Weight80.13

InChIInChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2

InChIKey MGNZXYYWBUKAII-UHFFFAOYSA-N

SmilesC1CCC=CC=1

  • 1,3-CYCLOHEXADIENE(592-57-4) MS
    Mass

    MS-NW-4817          
    1,3-cyclohexadiene
    C6H8                (Mass of molecular ion:     80)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       2.3
          26.0       2.4
          27.0      12.0
          37.0       1.5
          38.0       3.2
          39.0      16.4
          40.0       2.8
          41.0       4.2
          44.0       1.2
          49.0       1.1
          50.0       7.6
          51.0      13.6
          52.0      12.4
          53.0       6.4
          54.0       3.0
          63.0       1.9
          65.0       6.2
          74.0       1.8
          77.0      37.3
          78.0      12.5
          79.0     100.0
          80.0      52.8
          81.0       4.1
    

90 MHz in CDCl3

  • 1,3-CYCLOHEXADIENE(592-57-4) MS

    1H NMR 89.56 MHz
    C6 H8 0.04 ml : 0.5 ml CDCl3
    1,3-cyclohexadiene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.84 B 2.13

         Hz     ppm     Int.
    

        534.25   5.966     89
        531.75   5.938     53
        530.75   5.927     41
        530.06   5.919     46
        529.06   5.908     38
        527.94   5.895     73
        526.94   5.884     56
        526.19   5.876     71
        525.00   5.862    160
        523.25   5.843    936
        522.13   5.830    513
        521.13   5.819    426
        520.63   5.814    402
        519.25   5.798    237
        518.19   5.786    158
        517.25   5.776    150
        515.50   5.756     79
        514.25   5.742     67
        512.25   5.720     57
        510.06   5.696     70
        508.75   5.681     47
        507.63   5.669     34
        506.81   5.659     39
        196.13   2.190     48
        192.88   2.154    748
        191.13   2.135    882
        190.25   2.125   1000
    

in CDCl3

  • 1,3-CYCLOHEXADIENE(592-57-4) MS

liquid film

  • 1,3-CYCLOHEXADIENE(592-57-4) MS

  • 1,3-CYCLOHEXADIENE(592-57-4) MS

1,3-CYCLOHEXADIENE(592-57-4) MS Atlas of Related Products

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