591-49-1

1-甲基-1-環(huán)己烯(591-49-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:1-甲基-1-環(huán)己烯

CAS:591-49-1

分子式:C7H12

分子量: 96.17

InChI:InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3

InChIKey: CTMHWPIWNRWQEG-UHFFFAOYSA-N

Smiles:C1(C)CCCCC=1

Mass

MS-NW-9258          
1-methyl-1-cyclohexene
C7H12               (Mass of molecular ion:     96)

   Source Temperature: 250 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       6.4
      28.0       1.1
      29.0       4.0
      39.0      12.5
      40.0       3.6
      41.0      10.7
      42.0       1.9
      50.0       1.3
      51.0       3.3
      52.0       1.8
      53.0      12.6
      54.0      15.7
      55.0      28.4
      56.0       1.8
      63.0       1.1
      65.0       3.7
      66.0       2.9
      67.0      41.6
      68.0      36.0
      69.0       2.4
      77.0       5.3
      78.0       1.1
      79.0      11.4
      80.0       1.8
      81.0     100.0
      82.0       6.9
      91.0       2.4
      93.0       1.3
      95.0       8.1
      96.0      41.4
      97.0       4.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₂	0.05 ml : 0.5 ml CDCl₃
1-methyl-1-cyclohexene

    Assign.     Shift(ppm)

      A             5.379
      B             1.96
      C             1.89
      D             1.627
      E             1.61
      F             1.54

     Hz     ppm     Int.

   2156.74   5.397     52
   2155.27   5.393     97
   2153.20   5.388    147
   2151.61   5.384    213
   2150.02   5.380    227
   2148.19   5.376    182
   2146.36   5.371    142
   2144.78   5.367     84
    794.07   1.987     49
    791.87   1.982     86
    789.79   1.977    124
    787.96   1.972    170
    785.89   1.967    224
    783.81   1.962    255
    781.98   1.957    272
    779.79   1.952    268
    777.71   1.946    233
    775.76   1.942    183
    773.80   1.937    139
    771.85   1.932     91
    757.93   1.897    267
    656.86   1.644    139
    654.54   1.638    247
    653.69   1.636    439
    651.73   1.631    848
    651.25   1.630    863
    650.27   1.628   1000
    649.78   1.626    859
    649.29   1.625    885
    648.32   1.623    776
    647.46   1.621    647
    645.75   1.616    460
    641.72   1.606    273
    639.65   1.601    292
    638.43   1.598    258
    636.84   1.594    193
    635.62   1.591    172
    633.30   1.585    165
    632.32   1.583    142
    626.22   1.567    103
    624.51   1.563    135
    622.68   1.559    144
    621.70   1.556    135
    618.90   1.549    259
    616.70   1.544    290
    612.67   1.534    282
    610.60   1.528    263
    607.91   1.522    199
    607.30   1.520    188
    604.74   1.514    123
    601.93   1.507     84
    600.95   1.504     73

in CDCl3