3524-75-2

烯丙基环戊烷(3524-75-2)核磁图(¹³CNMR)

产品名称:烯丙基环戊烷

CAS:3524-75-2

分子式:C8H14

分子量: 110.2

InChI:InChI=1S/C8H14/c1-2-5-8-6-3-4-7-8/h2,8H,1,3-7H2

InChIKey: NHIDGVQVYHCGEK-UHFFFAOYSA-N

Smiles:C1(CC=C)CCCC1

Mass

MS-NW-6769          
allylcyclopentane
C8H14               (Mass of molecular ion:    110)

   Source Temperature: 200 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       1.1
      27.0      11.7
      29.0       4.3
      38.0       1.6
      39.0      23.2
      40.0       4.3
      41.0      80.4
      42.0       5.2
      43.0       1.7
      50.0       1.4
      51.0       2.8
      52.0       1.5
      53.0       8.4
      54.0       9.6
      55.0       5.4
      65.0       3.0
      66.0      13.4
      67.0      53.8
      68.0      94.3
      69.0     100.0
      70.0       5.4
      77.0       1.7
      79.0       2.6
      81.0       8.0
      82.0       9.5
      95.0       2.7
     110.0       3.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₄	0.05 ml : 0.5 ml CDCl₃
allylcyclopentane

    Assign.     Shift(ppm)

      A             5.800
      B             4.983
      C             4.928
      D             2.052
      E             1.858
      F     *1      1.733
      G     *2      1.59
      J     *2      1.51
      K     *1      1.136
     
     ASSIGNED BY H-H COSY.

     Hz     ppm     Int.

   2332.28   5.836    331
   2329.10   5.828    189
   2322.14   5.811    521
   2315.19   5.794    529
   2312.01   5.786    213
   2308.23   5.776    197
   2305.05   5.768    390
   2298.10   5.751    201
   2002.93   5.012    226
   2001.34   5.008    429
   2000.61   5.006    379
   1999.88   5.005    352
   1999.15   5.003    576
   1997.56   4.999    321
   1985.84   4.969    217
   1984.25   4.965    395
   1983.52   4.964    352
   1982.79   4.962    325
   1982.06   4.960    536
   1980.59   4.956    303
   1977.17   4.948    275
   1975.95   4.945    511
   1974.85   4.942    525
   1973.75   4.939    499
   1972.66   4.936    309
   1967.04   4.922    248
   1965.82   4.919    489
   1964.72   4.917    497
   1963.62   4.914    464
   1962.40   4.911    293
    828.86   2.074    309
    827.51   2.071    519
    826.29   2.068    397
    821.78   2.057    589
    820.56   2.054   1000
    819.34   2.051    791
    814.82   2.039    372
    813.48   2.036    624
    812.26   2.033    482
    750.00   1.877    295
    742.55   1.859    388
    735.35   1.840    304
    701.42   1.756    274
    700.07   1.752    282
    698.36   1.748    252
    696.66   1.744    402
    695.31   1.740    303
    694.34   1.738    309
    692.14   1.732    247
    691.16   1.730    328
    690.43   1.728    316
    689.33   1.725    391
    687.38   1.720    296
    685.55   1.716    292
    684.20   1.712    314
    646.36   1.618    265
    644.17   1.612    236
    643.19   1.610    268
    641.85   1.607    281
    639.40   1.600    399
    637.94   1.597    460
    635.86   1.592    336
    633.67   1.586    343
    631.47   1.581    419
    628.54   1.573    316
    627.20   1.570    208
    626.10   1.567    186
    625.24   1.565    195
    624.15   1.562    234
    623.17   1.560    252
    621.46   1.556    197
    619.63   1.551    297
    618.77   1.549    300
    614.50   1.538    260
    612.67   1.534    267
    611.33   1.530    346
    610.47   1.528    381
    609.86   1.526    394
    606.93   1.519    365
    606.57   1.518    369
    603.76   1.511    459
    602.05   1.507    398
    600.46   1.503    257
    599.61   1.501    321
    598.51   1.498    337
    596.07   1.492    302
    594.73   1.489    265
    463.13   1.159    347
    462.16   1.157    296
    460.45   1.153    225
    457.52   1.145    331
    455.57   1.140    399
    452.51   1.133    230
    450.81   1.129    360
    449.34   1.125    337
    447.63   1.121    283
    444.95   1.114    228
    443.24   1.110    295

in CDCl3