7418-16-8

2,2-二(4-环己酮基)丙烷(7418-16-8)红外图谱(IR2)

产品名称:2,2-二(4-环己酮基)丙烷

CAS:7418-16-8

分子式:C15H24O2

分子量: 236.35

InChI:InChI=1S/C15H24O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-12H,3-10H2,1-2H3

InChIKey: HAWVCXABNZBPED-UHFFFAOYSA-N

Smiles:C(C1CCC(=O)CC1)(C1CCC(=O)CC1)(C)C

Mass

MS-IW-7346          
4,4'-isopropylidenedicyclohexanone
C15H24O2            (Mass of molecular ion:    236)

   Source Temperature: 140 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      27.0       3.4
      28.0       1.6
      29.0       4.2
      39.0       4.3
      40.0       1.0
      41.0      23.6
      42.0       1.8
      43.0      18.0
      53.0       3.5
      54.0       2.1
      55.0      41.8
      56.0       3.5
      57.0       3.5
      59.0       5.7
      65.0       1.0
      67.0       7.9
      68.0       2.9
      69.0      35.0
      70.0       4.7
      71.0       1.2
      77.0       1.5
      79.0       8.2
      80.0       1.3
      81.0      14.2
      82.0       2.6
      83.0      53.5
      84.0       3.6
      91.0       1.3
      93.0       8.0
      94.0       1.1
      95.0      11.9
      96.0       4.3
      97.0      29.2
      98.0      44.8
      99.0       4.4
     105.0       1.0
     109.0       2.2
     110.0       1.4
     111.0       2.8
     121.0      20.9
     122.0       2.3
     123.0       3.4
     125.0       1.7
     137.0       8.6
     138.0      11.2
     139.0     100.0
     140.0      10.1
     236.0      24.3
     237.0       4.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₂₄ O₂	0.035 g : 0.5 ml CDCl₃
4,4'-isopropylidenedicyclohexanone

    Assign.     Shift(ppm)

      A             2.439
      B             2.335
      C             2.075
      D             1.805
      E             1.520
      F             0.858
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

    986.08   2.468     35
    983.52   2.461     47
    981.45   2.456     40
    973.14   2.435     47
    971.07   2.430     76
    968.87   2.425     92
    966.55   2.419     74
    948.49   2.374     53
    942.63   2.359     59
    934.20   2.338     63
    928.47   2.324     66
    920.41   2.304     32
    914.43   2.289     34
    840.82   2.104     36
    837.89   2.097     49
    834.96   2.090     48
    831.91   2.082     41
    830.08   2.078     37
    827.51   2.071     49
    824.71   2.064     57
    821.66   2.056     53
    818.73   2.049     35
    725.83   1.817     33
    722.90   1.809     58
    711.06   1.780     39
    614.50   1.538     56
    610.23   1.527     53
    602.17   1.507     46
    598.14   1.497     44
    343.14   0.859   1000

in CDCl3