4,4'-Diacetylbiphenyl(787-69-9) ¹³C NMR

Product Name4,4'-Diacetylbiphenyl

CAS 787-69-9

Molecular FormulaC16H14O2

Molecular Weight238.28

InChIInChI=1S/C16H14O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3

InChIKey YSTSBXDVNKYPTR-UHFFFAOYSA-N

SmilesC1(C2=CC=C(C(=O)C)C=C2)=CC=C(C(=O)C)C=C1

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Mass

MS-NW-9401          
4,4'-diacetylbiphenyl
C16H14O2            (Mass of molecular ion:    238)

   Source Temperature: 210 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       1.2
      17.0       1.4
      18.0       7.2
      28.0       1.2
      39.0       1.0
      43.0      86.2
      44.0       2.0
      50.0       1.6
      51.0       1.9
      63.0       4.1
      74.0       1.4
      75.0       2.8
      76.0      11.4
      76.5       1.3
      77.0       1.4
      82.0       1.2
      90.0       4.7
     102.0       1.0
     104.0       8.0
     104.5       1.2
     126.0       2.7
     150.0       3.9
     151.0       8.3
     152.0      17.1
     153.0       7.3
     165.0       4.0
     166.0       2.2
     180.0       3.8
     195.0       2.8
     223.0     100.0
     224.0      16.5
     225.0       1.7
     238.0      47.0
     239.0       8.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₄ O₂	0.030 g : 0.5 ml CDCl₃
4,4'-diacetylbiphenyl

    Assign.     Shift(ppm)

      A             8.056
      B             7.719
      C             2.649

     Hz     ppm     Int.

   3226.56   8.074     25
   3224.61   8.069    179
   3222.66   8.064     63
   3218.02   8.053     63
   3215.94   8.047    222
   3214.11   8.043     37
   3091.31   7.736     30
   3089.36   7.731    202
   3087.40   7.726     68
   3082.76   7.714     59
   3080.69   7.709    194
   3078.86   7.704     30
   1058.72   2.650   1000

in CDCl3