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502-42-1

環(huán)庚酮(502-42-1)Raman光譜

產(chǎn)品名稱:環(huán)庚酮

CAS:502-42-1

分子式:C7H12O

分子量: 112.17

InChI:InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2

InChIKey: CGZZMOTZOONQIA-UHFFFAOYSA-N

Smiles:C1(=O)CCCCCC1

  • 圖譜
    Mass 

    MS-NW-0952          
cycloheptanone
C7H12O              (Mass of molecular ion:    112)


       Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          15.0       2.6
      17.0       1.1
      18.0       5.3
      26.0       4.7
      27.0      34.4
      28.0      25.0
      29.0      15.7
      32.0       1.2
      38.0       2.6
      39.0      33.0
      40.0       8.2
      41.0      89.0
      42.0      40.7
      43.0      16.1
      50.0       2.0
      51.0       2.8
      52.0       1.1
      53.0       6.0
      54.0       4.7
      55.0      95.2
      56.0      58.3
      57.0       4.7
      58.0       3.6
      67.0       6.6
      68.0     100.0
      69.0      35.1
      70.0      12.6
      71.0       1.8
      79.0       3.4
      81.0       1.1
      83.0      15.5
      84.0      32.3
      85.0       2.1
      94.0       3.9
      97.0       6.2
     112.0      42.9
     113.0       3.6

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C7 H12 O 0.04 ml : 0.5 ml CDCl3
    cycloheptanone
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             2.49
      B          1.89 to 1.49
  

         Hz     ppm     Int.


        226.19   2.526    234
    224.31   2.505    244
    223.56   2.497    241
    221.13   2.470    234
    220.69   2.465    234
    219.81   2.455    228
    218.75   2.443    230
    165.50   1.848     33
    163.63   1.828     45
    151.44   1.691   1000
    150.13   1.677    846

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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