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

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

¹H NMR	399.65 MHz
C₅ H₉ N O₂	0.05 ml : 0.5 ml CDCl₃
nitrocyclopentane

    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