592-57-4

1,3-环己二烯(592-57-4)质谱(MS)

产品名称:1,3-环己二烯

CAS:592-57-4

分子式:C6H8

分子量: 80.13

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

InChIKey: MGNZXYYWBUKAII-UHFFFAOYSA-N

Smiles:C1CCC=CC=1

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

¹H NMR	89.56 MHz
C₆ H₈	0.04 ml : 0.5 ml CDCl₃
1,3-cyclohexadiene

    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