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Back ChemicalBook Home>CAS DataBase List>92-92-2More Spectrum> 4-Biphenylcarboxylic acid(92-92-2) MS

4-Biphenylcarboxylic acid(92-92-2) MS

Molecular FormulaC13H10O2

Molecular Weight198.22

InChIInChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)

InChIKey NNJMFJSKMRYHSR-UHFFFAOYSA-N

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


  • Mass

    MS-NW-7055          
    4-biphenylcarboxylic acid
    C13H10O2            (Mass of molecular ion:    198)
    

       Source Temperature: 200 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          18.0       1.9
          39.0       1.6
          50.0       2.8
          51.0       3.9
          62.0       1.4
          63.0       3.8
          74.0       2.4
          75.0       3.4
          75.5       1.9
          76.0       9.5
          76.5       2.7
          77.0       3.5
          85.0       5.0
          87.0       1.1
          90.5       2.5
          99.0       1.8
         101.0       1.3
         102.0       2.5
         115.0       1.7
         126.0       2.9
         127.0       3.6
         141.0       1.0
         150.0       2.7
         151.0       8.4
         152.0      29.9
         153.0      20.4
         154.0       2.9
         170.0       2.1
         181.0      43.8
         182.0       6.7
         198.0     100.0
         199.0      14.7
         200.0       1.5
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C13 H10 O2 0.040 g : 0.5 ml DMSO-d6
    4-biphenylcarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 8.057 C 7.81 D 7.75 E 7.63 to 7.42

         Hz     ppm     Int.
    

        727.34   8.122    492
        725.46   8.101    196
        723.67   8.081     71
        720.76   8.048    275
        718.71   8.025    996
        717.18   8.008    257
        713.93   7.972     53
        713.59   7.968     51
        713.33   7.965     51
        709.31   7.920     44
        708.63   7.913     47
        704.61   7.868    259
        703.08   7.851   1000
        701.03   7.828    327
        699.06   7.806    337
        696.41   7.776    407
        694.36   7.754    695
        691.03   7.716    612
        689.23   7.696    583
        686.24   7.663    140
        684.70   7.646     91
        683.25   7.629    153
        681.46   7.609    112
        678.81   7.580    209
        677.10   7.561    166
        674.02   7.526    522
        671.46   7.498    384
        668.73   7.467    714
        666.85   7.446    722
        664.62   7.421    197
        662.57   7.399    122
        659.16   7.360     51
        658.81   7.357     52
        658.30   7.351     59
        656.51   7.331     50
        654.88   7.313     41
    


  • 1H NMR 399.65 MHz
    C13 H10 O2 0.038 g : 0.5 ml DMSO-d6
    4-biphenylcarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.0 B 8.071 C 7.816 D 7.750 E 7.516 F 7.443

         Hz     ppm     Int.
    

       5215.85  13.052     55
       3230.51   8.084    847
       3222.08   8.063   1000
       3127.75   7.827    987
       3119.33   7.806    833
       3101.19   7.760    506
       3099.91   7.757    668
       3092.77   7.739    757
       3012.17   7.538    347
       3010.52   7.533    156
       3005.03   7.520    787
       2997.15   7.500    508
       2981.22   7.460    317
       2975.91   7.447    149
       2973.89   7.442    404
       2971.69   7.436    107
       2966.56   7.423    129
    

KBr disc



nujol mull





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