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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

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    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

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

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liquid film

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4880 A,200 M,liquid

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