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Back ChemicalBook Home>CAS DataBase List>92-91-1More Spectrum> 4-Acetylbiphenyl(92-91-1) IR2

4-Acetylbiphenyl(92-91-1) IR2

Product Name4-Acetylbiphenyl

CAS92-91-1

Molecular FormulaC14H12O

Molecular Weight196.24

InChIInChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3

InChIKey QCZZSANNLWPGEA-UHFFFAOYSA-N

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


  • Mass

    MS-NW-9801          
    4-acetylbiphenyl
    C14H12O             (Mass of molecular ion:    196)
    

       Source Temperature: 140 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          43.0       4.4
          51.0       2.0
          63.0       2.8
          75.0       2.0
          75.5       2.3
          76.0      11.4
          76.5       4.3
          77.0       2.8
          84.0       2.3
          90.5       4.7
         102.0       1.0
         126.0       1.9
         127.0       2.8
         150.0       2.3
         151.0       9.0
         152.0      36.4
         153.0      35.5
         154.0       5.3
         165.0       1.1
         181.0     100.0
         182.0      14.3
         183.0       1.1
         196.0      59.9
         197.0       9.4
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C14 H12 O 0.042 g : 0.5 ml CDCl3
    4-acetylbiphenyl
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.004 B 7.67 C 7.57 D 7.44 E 7.39 F 2.611

         Hz     ppm     Int.
    

        722.25   8.065    104
        721.69   8.059     72
        720.31   8.043     36
        715.69   7.992     43
        713.56   7.968    179
        711.88   7.949     33
        691.75   7.724     31
        690.00   7.705    177
        687.81   7.680     57
        684.88   7.648     32
        683.44   7.632     60
        681.94   7.615     91
        681.31   7.608    127
        679.06   7.583     89
        677.38   7.564    114
        672.38   7.508     53
        671.00   7.493     32
        668.88   7.469     86
        668.25   7.462     91
        666.19   7.439     83
        663.06   7.404    111
        661.06   7.382    126
        233.88   2.612   1000
    

in CDCl3



KBr disc



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