764-13-6

2,5-二甲基-2,4-己二烯(764-13-6)质谱(MS)

产品名称:2,5-二甲基-2,4-己二烯

CAS:764-13-6

分子式:C8H14

分子量: 110.2

InChI:InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3

InChIKey: DZPCYXCBXGQBRN-UHFFFAOYSA-N

Smiles:C/C(/C)=C\C=C(\C)/C

Mass

MS-NW-1018          
2,5-dimethyl-2,4-hexadiene
C8H14               (Mass of molecular ion:    110)

   Source Temperature: 260 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      15.0       1.0
      18.0       1.1
      27.0      11.3
      29.0       7.8
      38.0       1.3
      39.0      18.4
      40.0       3.5
      41.0      33.1
      42.0       4.0
      43.0      12.0
      50.0       2.1
      51.0       5.1
      52.0       2.3
      53.0      14.1
      54.0       3.7
      55.0      32.2
      56.0       6.4
      57.0       2.3
      58.0       1.1
      59.0       1.1
      63.0       1.4
      65.0       4.6
      66.0       1.5
      67.0      47.5
      68.0      11.4
      69.0      12.6
      70.0       2.7
      71.0       1.6
      77.0       8.6
      78.0       1.8
      79.0       8.7
      80.0       3.6
      81.0      12.2
      82.0       2.0
      83.0       3.8
      84.0       4.5
      91.0       4.8
      93.0       8.3
      94.0       2.0
      95.0     100.0
      96.0       7.9
     109.0       3.1
     110.0      64.6
     111.0       6.1
     113.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄	0.04 ml : 0.5 ml CDCl₃
2,5-dimethyl-2,4-hexadiene

    Assign.     Shift(ppm)

      A             5.972
      B     *1      1.788
      C     *1      1.732

     Hz     ppm     Int.

    534.88   5.973    223
    160.13   1.788   1000
    155.13   1.733    961

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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