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930-30-3

2-环戊烯酮(930-30-3)核磁图(1HNMR)

产品名称:2-环戊烯酮

CAS:930-30-3

分子式:C5H6O

分子量: 82.1

InChI:InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2

InChIKey: BZKFMUIJRXWWQK-UHFFFAOYSA-N

Smiles:C1(=O)CCC=C1

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    Mass

    MS-NW-1594          
    2-cyclopenten-1-one
    C5H6O               (Mass of molecular ion:     82)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.0
          18.0       1.5
          25.0       1.6
          26.0      15.4
          27.0      26.0
          28.0      26.0
          29.0       1.0
          31.0       1.2
          37.0       3.2
          38.0       4.8
          39.0      66.7
          40.0       3.2
          41.0       2.3
          42.0       3.3
          49.0       2.3
          50.0       7.6
          51.0       7.7
          52.0       4.6
          53.0      34.5
          54.0      36.6
          55.0      17.2
          56.0       7.4
          81.0      13.5
          82.0     100.0
          83.0       5.7
          84.0       2.1
    

parameter in CCl4

90 MHz in CDCl3

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    1H NMR 300 MHz
    C5 H6 O in CCl4
    2-cyclopenten-1-one
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.63 D(B) 6.11 D(C) 2.64 D(D) 2.24 J(A,B) 5.8 J(A,C) 2.6 J(A,C') 2.6 J(A,D) 0.0 J(A,D') 0.0 J(B,C) 2.2 J(B,C') 2.2 J(B,D) 0.0 J(B,D') 0.0 J(C,C') -19.0 J(C,D) 7.3 J(C,D') 2.5 J(C',D) 2.5 J(C',D') 7.3 J(D,D') -19.5 DEPUY,C.H. ET AL. J.CHEM.ENG.DATA 11, 102 (1966)

         Hz     ppm     Int.
    

       2294.50   7.648    243
       2291.93   7.640    476
       2289.25   7.631    320
       2288.80   7.629    323
       2286.18   7.621    488
       2283.56   7.612    250
       1838.09   6.127    253
       1835.87   6.120    491
       1833.70   6.112    274
       1832.34   6.108    266
       1830.12   6.100    479
       1827.96   6.093    249
        799.44   2.665    229
        797.02   2.657    436
        794.60   2.649    588
        792.23   2.641    553
        789.71   2.632    639
        787.29   2.624    508
        784.87   2.616    267
        676.78   2.256   1000
        674.21   2.247    402
        671.84   2.239    805
        669.72   2.232    378
        667.00   2.223    848
    

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    1H NMR 89.56 MHz
    C5 H6 O 0.04 ml : 0.5 ml CDCl3
    2-cyclopenten-1-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.749 B 6.205 C 2.704 D 2.360 J(A,B)=5.7HZ J(A,C)=2.6HZ J(B,C)=2.2HZ

         Hz     ppm     Int.
    

        699.56   7.812    384
        696.94   7.782    762
        694.25   7.752    447
        693.88   7.748    463
        691.25   7.719    782
        688.63   7.690    413
        560.69   6.261    430
        558.50   6.237    863
        556.38   6.213    428
        555.00   6.197    415
        552.81   6.173    817
        550.75   6.150    408
        250.63   2.799    141
        250.13   2.793    155
        248.00   2.770    370
        247.44   2.763    194
        245.81   2.745    415
        243.13   2.715    440
        240.88   2.690    427
        240.44   2.685    424
        239.25   2.672    315
        238.38   2.662    483
        236.63   2.643    268
        235.81   2.633    267
        216.19   2.414    954
        215.25   2.404   1000
        213.75   2.387    661
        213.44   2.384    651
        211.00   2.356    715
        210.31   2.349    664
        208.75   2.331    521
        206.63   2.308    637
        206.00   2.301    648
        203.31   2.271     53
    

in CDCl3

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CCl4 solution

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liquid film

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