Dibenzylideneacetone(538-58-9) ¹H NMR

Product NameDibenzylideneacetone

CAS 538-58-9

Molecular FormulaC17H14O

Molecular Weight234.29

InChIInChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H

InChIKey WMKGGPCROCCUDY-UHFFFAOYSA-N

SmilesC(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1

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Dibenzylideneacetone(538-58-9) <sup>1</sup>H NMR
Mass

MS-NW-6013          
1,5-diphenyl-1,4-pentadien-3-one
C17H14O             (Mass of molecular ion:    234)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.5
      27.0       2.3
      28.0       1.8
      39.0       3.5
      50.0       5.7
      51.0      18.1
      52.0       3.2
      53.0       1.2
      62.0       1.5
      63.0       4.5
      65.0       1.3
      74.0       2.5
      75.0       3.9
      76.0       5.4
      77.0      48.7
      78.0       5.5
      89.0       5.1
      90.0       1.0
      91.0      26.6
      92.0       2.2
     101.0       4.1
     102.0      13.0
     103.0      61.6
     104.0       9.5
     105.0       1.5
     115.0       5.8
     116.0       2.6
     116.5       1.6
     117.0       1.6
     127.0       2.7
     128.0      17.2
     129.0       7.3
     130.0       1.0
     131.0      42.7
     132.0       4.8
     156.0      10.3
     157.0       4.1
     165.0       2.9
     178.0       2.9
     179.0       2.5
     189.0       1.9
     190.0       2.4
     191.0       9.0
     192.0       1.9
     202.0       3.1
     203.0       4.2
     204.0       3.3
     205.0      15.3
     206.0       8.4
     207.0       1.7
     215.0       2.8
     216.0       1.2
     217.0       1.3
     218.0       1.0
     219.0       1.0
     232.0       1.1
     233.0      68.6
     234.0     100.0
     235.0      18.1
     236.0       2.1

90 MHz in CDCl3

Dibenzylideneacetone(538-58-9) <sup>1</sup>H NMR

¹H NMR	89.56 MHz
C₁₇ H₁₄ O	0.045 g : 0.5 ml CDCl₃
1,5-diphenyl-1,4-pentadien-3-one

    Assign.     Shift(ppm)

      A             7.71
      B             7.59
      C          7.49 to 7.27
      D             7.080

     Hz     ppm     Int.

    701.19   7.830    362
    685.31   7.652    670
    683.13   7.628    251
    682.56   7.622    278
    680.81   7.602    263
    679.13   7.583    360
    678.00   7.571    260
    677.56   7.566    248
    676.44   7.553    502
    674.06   7.527    121
    673.44   7.520    113
    672.63   7.511    130
    671.88   7.503     97
    671.13   7.494     84
    668.06   7.460    183
    666.63   7.444    281
    664.75   7.423    865
    663.63   7.410    359
    661.38   7.385    719
    659.94   7.369    350
    658.13   7.349    689
    657.13   7.338    188
    656.50   7.331    187
    654.38   7.307    105
    640.19   7.149   1000
    624.25   6.971    615

in CDCl3