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3859-41-4

1,3-环戊二酮(3859-41-4)红外图谱(IR1)

产品名称:1,3-环戊二酮

CAS:3859-41-4

分子式:C5H6O2

分子量: 98.1

InChI:InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2

InChIKey: LOGSONSNCYTHPS-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7251          
    1,3-cyclopentanedione
    C5H6O2              (Mass of molecular ion:     98)
    

       Source Temperature: 220 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          13.0       1.0
          14.0       4.6
          15.0       2.5
          18.0       1.7
          25.0       1.6
          26.0      10.6
          27.0      20.2
          28.0     100.0
          29.0       4.3
          37.0       2.9
          38.0       3.1
          39.0       6.7
          40.0       2.7
          41.0       7.0
          42.0      88.8
          43.0      10.5
          44.0       1.4
          49.0       1.3
          50.0       2.4
          51.0       2.0
          52.0       1.3
          53.0       2.4
          54.0       1.0
          55.0      16.2
          56.0      42.1
          57.0       5.8
          69.0      13.2
          70.0      10.4
          71.0       3.0
          97.0       7.4
          98.0      83.6
          99.0       5.1
    

parameter in DMSO-d6

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    1H NMR 300 MHz
    C5 H6 O2 0.039 g : 0.5 ml DMSO-d6
    1,3-cyclopentanedione
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 5.093 D(B) 2.381

         Hz     ppm     Int.
    

       1527.90   5.093    500
        714.31   2.381   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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