3-乙基-2,4-戊二酮(1540-34-7)紅外圖譜(IR1)

產(chǎn)品名稱:3-乙基-2,4-戊二酮

CAS:1540-34-7

分子式:C7H12O2

分子量: 128.17

InChI:InChI=1S/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3

InChIKey: GUARKOVVHJSMRW-UHFFFAOYSA-N

Smiles:CC(=O)C(CC)C(=O)C

¹HNMR

IR1

Mass

MS-IW-3476          
3-ethyl-2,4-pentanedione
C7H12O2             (Mass of molecular ion:    128)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       7.1
      26.0       1.1
      27.0       6.9
      28.0       1.7
      29.0       3.9
      38.0       1.2
      39.0       8.0
      40.0       1.4
      41.0       9.4
      42.0       4.2
      43.0     100.0
      44.0       4.4
      45.0       3.0
      53.0       2.9
      55.0       3.6
      57.0       1.5
      58.0       7.4
      65.0       1.1
      67.0      10.5
      68.0       1.2
      69.0       4.3
      71.0      97.1
      72.0       4.9
      85.0      17.5
      86.0      60.0
      87.0       5.2
      95.0       1.7
     100.0       8.9
     102.0       2.5
     113.0      28.8
     114.0       1.9
     128.0      13.3
     129.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
3-ethyl-2,4-pentanedione

    Assign.     Shift(ppm)

      A            16.6
      B             3.584
      C             2.272
      D             2.188
      E             2.145
      F             1.888
      G             1.057
      J             0.910

     Hz     ppm     Int.

   6652.34  16.646     65
   1439.94   3.604     45
   1432.62   3.585     90
   1425.54   3.567     48
    913.09   2.285     63
    905.52   2.266     66
    898.19   2.248     37
    874.51   2.189   1000
    857.67   2.147    517
    769.53   1.926     33
    762.21   1.908    124
    754.64   1.889    185
    747.31   1.870    138
    739.99   1.852     38
    430.18   1.077     76
    422.85   1.059    145
    415.28   1.040     74
    371.34   0.930    199
    364.01   0.911    372
    356.45   0.892    194

liquid film