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Back ChemicalBook Home>CAS DataBase List>765-69-5More Spectrum> 2-Methyl-1,3-cyclopentanedione(765-69-5) IR1

765-69-5

2-Methyl-1,3-cyclopentanedione(765-69-5) IR1

Molecular FormulaC6H8O2

Molecular Weight112.13

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

InChIKey HXZILEQYFQYQCE-UHFFFAOYSA-N

SmilesC1(=O)CCC(=O)C1C

  • 2-Methyl-1,3-cyclopentanedione(765-69-5) IR1
    Mass

    MS-NW-6706          
    2-methyl-1,3-cyclopentanedione
    C6H8O2              (Mass of molecular ion:    112)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       1.1
          15.0       1.9
          18.0       3.7
          25.0       1.5
          26.0      10.8
          27.0      30.2
          28.0      27.3
          29.0      10.5
          31.0       2.6
          37.0       1.7
          38.0       2.4
          39.0      11.4
          40.0       3.3
          41.0      15.0
          42.0       6.6
          43.0      18.4
          44.0       2.4
          50.0       2.6
          51.0       2.8
          52.0       2.1
          53.0       5.7
          54.0       3.9
          55.0      34.1
          56.0      48.5
          57.0      17.4
          58.0       1.0
          62.0       1.1
          63.0       1.3
          65.0       4.0
          66.0       5.7
          67.0       5.6
          68.0       1.1
          69.0      19.0
          70.0      11.8
          82.0       1.1
          83.0      34.7
          84.0       7.3
          85.0       6.2
          94.0       1.0
          97.0       3.6
         111.0      15.4
         112.0     100.0
         113.0       7.2
    

400 MHz in DMSO-d6

  • 2-Methyl-1,3-cyclopentanedione(765-69-5) IR1

    1H NMR 399.65 MHz
    C6 H8 O2 0.040 g : 0.5 ml DMSO-d6
    2-methyl-1,3-cyclopentanedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.5 B 2.35 C 1.47

         Hz     ppm     Int.
    

        938.55   2.349    477
        586.68   1.468   1000
    

in DMSO-d6

  • 2-Methyl-1,3-cyclopentanedione(765-69-5) IR1

KBr disc

  • 2-Methyl-1,3-cyclopentanedione(765-69-5) IR1

nujol mull

  • 2-Methyl-1,3-cyclopentanedione(765-69-5) IR1

4880 A,200 M,powder

  • 2-Methyl-1,3-cyclopentanedione(765-69-5) IR1

2-Methyl-1,3-cyclopentanedione(765-69-5) IR1 Atlas of Related Products

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