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765-70-8

3-甲基环戊烷-1,2-二酮(765-70-8)Raman光谱

分子式:C6H8O2

分子量: 112.13

InChI:InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3

InChIKey: OACYKCIZDVVNJL-UHFFFAOYSA-N

Smiles:C1(=O)CCC(C)C1=O

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    Mass

    MS-NW-1239          
    2-hydroxy-3-methyl-2-cyclopenten-1-one
    C6H8O2              (Mass of molecular ion:    112)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       2.6
          18.0       1.5
          26.0       4.9
          27.0      21.0
          28.0       6.4
          29.0       8.6
          31.0       1.9
          37.0       1.7
          38.0       3.1
          39.0      18.5
          40.0       5.1
          41.0      41.8
          42.0       8.0
          43.0      28.1
          44.0       4.6
          45.0       1.1
          50.0       3.3
          51.0       3.5
          52.0       1.7
          53.0       5.1
          54.0       3.0
          55.0      27.6
          56.0      18.0
          57.0       4.0
          65.0       3.3
          66.0       6.4
          67.0       1.5
          69.0      43.3
          70.0       5.2
          71.0       2.5
          82.0       1.1
          83.0      22.9
          84.0      21.8
          85.0       1.3
          97.0       6.5
         111.0       4.6
         112.0     100.0
         113.0       7.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H8 O2 0.046 g : 0.5 ml CDCl3
    2-hydroxy-3-methyl-2-cyclopenten-1-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.69 B 2.43 C 2.019

         Hz     ppm     Int.
    

        599.38   6.693     77
        219.88   2.456     28
        218.69   2.442    135
        217.56   2.430   1000
        212.19   2.370     25
        181.44   2.026    370
        180.94   2.021    760
        180.38   2.015    369
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,200 M,powder

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