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2562-38-1

硝基环戊烷(2562-38-1)Raman光谱

产品名称:硝基环戊烷

CAS:2562-38-1

分子式:C5H9NO2

分子量: 115.13

InChI:InChI=1S/C5H9NO2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2

InChIKey: CJSZWOGCKKDSJG-UHFFFAOYSA-N

Smiles:C1([N+]([O-])=O)CCCC1

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    Mass

    MS-NW-8619          
    nitrocyclopentane
    C5H9NO2             (Mass of molecular ion:    115)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          26.0       1.3
          27.0      10.1
          28.0       3.1
          29.0       3.4
          30.0       2.3
          38.0       2.2
          39.0      25.8
          40.0       5.3
          41.0     100.0
          42.0       6.6
          43.0       2.3
          51.0       1.4
          53.0       7.0
          54.0       1.1
          55.0       1.2
          57.0       1.3
          65.0       2.4
          66.0       1.6
          67.0      32.1
          68.0      24.5
          69.0      95.2
          70.0       5.3
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H9 N O2 0.05 ml : 0.5 ml CDCl3
    nitrocyclopentane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.909 B *1 2.260 C *1 2.124 D *2 1.875 E *2 1.703

         Hz     ppm     Int.
    

       1974.37   4.941    278
       1970.21   4.930    524
       1966.43   4.921    682
       1962.40   4.911   1000
       1958.25   4.900    714
       1954.47   4.891    568
       1950.32   4.881    313
        907.59   2.271    626
        903.32   2.261    682
        901.98   2.257    709
        900.39   2.253    644
        898.80   2.249    592
        897.58   2.246    626
        896.12   2.243    631
        895.39   2.241    621
        893.43   2.236    582
        865.48   2.166    311
        857.91   2.147    688
        857.18   2.145    690
        853.03   2.135    437
        851.20   2.130    710
        850.22   2.128    849
        843.99   2.112    673
        843.51   2.111    676
        842.53   2.109    684
        838.50   2.099    329
        835.94   2.092    529
        760.38   1.903    370
        759.28   1.900    360
        757.81   1.897    560
        752.81   1.884    842
        748.66   1.874    903
        746.46   1.868    681
        745.24   1.865    643
        741.94   1.857    677
        694.58   1.738    322
        692.87   1.734    330
        690.06   1.727    492
        688.48   1.723    677
        687.38   1.720    820
        686.04   1.717    615
        684.81   1.714    643
        683.11   1.710    814
        681.52   1.706    938
        680.42   1.703    925
        677.49   1.696    878
        676.15   1.692    779
        675.17   1.690    643
        672.12   1.682    688
        670.78   1.679    448
        669.56   1.676    436
        668.70   1.674    342
    

in CDCl3

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liquid film

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