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142-29-0

环戊烯(142-29-0)核磁图(1HNMR)

产品名称:环戊烯

CAS:142-29-0

分子式:C5H8

分子量: 68.12

InChI:InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2

InChIKey: LPIQUOYDBNQMRZ-UHFFFAOYSA-N

Smiles:C1CCCC=1

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    Mass

    MS-NW-3720          
    cyclopentene
    C5H8                (Mass of molecular ion:     68)
    

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

          26.0       1.9
          27.0       8.1
          28.0       1.3
          29.0       1.1
          31.0       1.4
          37.0       2.3
          38.0       4.6
          39.0      24.3
          40.0      12.9
          41.0      15.7
          42.0       8.0
          50.0       1.6
          51.0       2.2
          52.0       1.2
          53.0      22.2
          54.0       1.8
          55.0       1.6
          61.0       1.1
          62.0       1.5
          63.0       2.0
          65.0       5.5
          66.0       6.1
          67.0     100.0
          68.0      44.4
          69.0       2.6
          82.0       1.7
          83.0       1.8
    

90 MHz in CDCl3

parameter neat

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    1H NMR 89.56 MHz
    C5 H8 0.04 ml : 0.5 ml CDCl3
    cyclopentene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.73 B 2.30 C 1.82

         Hz     ppm     Int.
    

        516.38   5.766     52
        515.75   5.759     60
        513.81   5.738    444
        513.13   5.730   1000
        512.44   5.722    535
        511.38   5.710    140
        510.63   5.702     96
        509.94   5.694     87
        509.19   5.686     48
        508.69   5.680     36
        508.19   5.675     34
        507.50   5.667     38
        218.06   2.435     43
        217.00   2.423     81
        216.50   2.418     55
        216.19   2.414     58
        214.56   2.396    170
        213.94   2.389    209
        212.88   2.377    136
        212.00   2.368     56
        211.56   2.363     64
        211.13   2.358     65
        210.38   2.350     50
        209.69   2.342    133
        209.31   2.338     99
        208.25   2.326    285
        207.63   2.319    598
        207.13   2.313    593
        205.44   2.294    172
        204.75   2.287    121
        203.69   2.275    138
        203.00   2.267    105
        202.38   2.260     64
        201.19   2.247    316
        200.63   2.241    411
        199.75   2.231    470
        198.94   2.222    297
        197.06   2.201     96
        196.44   2.194     42
        194.88   2.176     33
        193.13   2.157     65
        191.94   2.144     36
        190.94   2.132     37
        183.63   2.051     31
        176.63   1.973    181
        175.75   1.963     39
        175.19   1.957    234
        172.19   1.923     49
        171.13   1.911     95
        170.50   1.904    136
        169.38   1.892    149
        169.00   1.888    225
        167.88   1.875    189
        167.00   1.865     44
        166.63   1.861     54
        165.81   1.852     97
        164.19   1.834    130
        162.75   1.818    133
        162.00   1.809    225
        161.38   1.802    201
        160.63   1.794     98
        160.00   1.787     90
        159.31   1.779     62
        158.00   1.765     74
        157.38   1.758     30
        156.69   1.750     49
        155.75   1.740     79
        154.88   1.730    128
        154.06   1.721    125
        152.75   1.706     71
        151.56   1.693     61
        148.13   1.654     80
        145.88   1.629     75
    

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    1H NMR 300 MHz
    C5 H8 neat
    cyclopentene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 5.660 D(B) 5.660 D(C) 2.269 D(D) 1.788 J(A,B) 5.77 J(A,C) -2.25 J(A,C') -2.25 J(A,C'') 2.33 J(A,C''') 2.33 J(A,D) 0.01 J(A,D') 0.01 J(B,C) 2.33 J(B,C') 2.33 J(B,C'') -2.25 J(B,C''') -2.25 J(B,D) 0.01 J(B,D') 0.01 J(C,C') -16.06 J(C,C'') 2.13 J(C,C''') 2.97 J(C,D) 9.34 J(C,D') 5.71 J(C',C'') 2.97 J(C',C''') 2.13 J(C',D) 5.71 J(C',D') 9.34 J(C'',C''') -16.06 J(C'',D) 9.34 J(C'',D') 5.71 J(C''',D) 5.71 J(C''',D') 9.34 J(D,D') -12.74 LEMARIE,B. ET AL. J.CHIM.PHYS. 72, 1254 (1975)

         Hz     ppm     Int.
    

       1707.96   5.693     11
       1705.20   5.684     20
       1703.85   5.679     39
       1698.01   5.660    917
       1692.22   5.641     40
       1690.82   5.636     21
       1688.11   5.627     11
        694.24   2.314     16
        690.76   2.303     71
        688.41   2.295    556
        686.10   2.287     99
        681.00   2.270   1000
        673.48   2.245    561
        667.72   2.226     19
        666.26   2.221     10
        551.33   1.838    108
        550.67   1.836    110
        545.32   1.818     70
        543.11   1.810    276
        537.69   1.792    120
        536.03   1.787    401
        531.41   1.771     38
        528.37   1.761    230
        521.33   1.738     72
        520.67   1.736     70
    

in CDCl3

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liquid film

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