4049-81-4

2-甲基-1,5-环己二烯(4049-81-4)Raman光谱

产品名称:2-甲基-1,5-环己二烯

CAS:4049-81-4

分子式:C7H12

分子量: 96.17

InChI:InChI=1S/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3

InChIKey: SLQMKNPIYMOEGB-UHFFFAOYSA-N

Smiles:C=C(C)CCC=C

Mass

MS-NW-3223          
2-methyl-1,5-hexadiene
C7H12               (Mass of molecular ion:     96)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.1
      26.0       1.7
      27.0      19.3
      29.0      28.6
      38.0       2.6
      39.0      35.9
      40.0       5.5
      41.0      30.8
      42.0       2.5
      50.0       2.5
      51.0       4.4
      52.0       2.0
      53.0      19.1
      54.0      22.7
      55.0      80.8
      56.0       6.4
      57.0       2.0
      65.0       2.4
      66.0       2.4
      67.0      23.6
      68.0      22.8
      69.0       1.8
      77.0       3.0
      79.0       8.6
      80.0       1.3
      81.0     100.0
      82.0       6.7
      95.0       4.9
      96.0       5.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₂	0.04 ml : 0.5 ml CDCl₃
2-methyl-1,5-hexadiene

    Assign.     Shift(ppm)

      A             5.80
      B             5.01
      C             4.95
      D     *1      4.71
      E     *1      4.69
      F          2.26 to 2.05
      G             1.721

     Hz     ppm     Int.

    535.75   5.983     72
    532.06   5.941     33
    525.88   5.872     89
    524.75   5.860     50
    521.19   5.820     46
    519.75   5.804     43
    518.50   5.790    117
    514.94   5.750     48
    513.69   5.736     41
    512.31   5.721     51
    511.19   5.708     30
    508.63   5.680    131
    503.75   5.625     31
    503.38   5.621     31
    502.50   5.611     53
    460.13   5.138     54
    458.75   5.123    129
    457.88   5.113    137
    457.25   5.106     89
    456.50   5.098    228
    455.13   5.082     92
    450.13   5.027    112
    449.00   5.014    212
    447.88   5.001    151
    446.75   4.989    126
    445.75   4.978     60
    442.88   4.946     32
    442.44   4.941     35
    441.50   4.930     70
    440.25   4.916    136
    439.19   4.904    265
    437.94   4.890    163
    436.88   4.879    105
    435.75   4.866     43
    424.81   4.744     80
    424.06   4.735    111
    422.63   4.719    249
    421.88   4.711    294
    421.19   4.703    388
    419.94   4.689    336
    419.06   4.680    213
    417.81   4.666    103
    416.81   4.654     49
    206.94   2.311     37
    202.94   2.266     41
    201.44   2.250     75
    199.81   2.232    102
    198.56   2.218    103
    197.13   2.202    123
    195.94   2.188    189
    195.13   2.179    201
    193.50   2.161    218
    192.31   2.148    425
    191.06   2.134    607
    180.63   2.017     32
    155.38   1.735    694
    154.44   1.725   1000
    154.06   1.721    915
    153.06   1.710    691

in CDCl3