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3859-41-4

1,3-環(huán)戊二酮(3859-41-4)質(zhì)譜(MS)

產(chǎn)品名稱:1,3-環(huán)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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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