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Back ChemicalBook Home>CAS DataBase List>39070-63-8More Spectrum> (3,4-Diaminophenyl)phenylmethanone(39070-63-8) IR2

(3,4-Diaminophenyl)phenylmethanone(39070-63-8) IR2

Molecular FormulaC13H12N2O

Molecular Weight212.25

InChIInChI=1S/C13H12N2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,14-15H2

InChIKey RXCOGDYOZQGGMK-UHFFFAOYSA-N

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


  • Mass

    MS-NW-9762          
    3,4-diaminobenzophenone
    C13H12N2O           (Mass of molecular ion:    212)
    

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

          17.0       1.2
          18.0       6.2
          28.0       1.4
          51.0       3.5
          52.0       2.3
          53.0       3.3
          63.0       2.0
          77.0      11.9
          78.0       2.2
          79.0       1.8
          80.0      10.4
          90.0       3.5
          92.0       4.1
         105.0       6.8
         106.0       2.3
         107.0      23.5
         108.0       1.9
         135.0     100.0
         136.0       8.5
         139.0       1.3
         156.0       2.6
         166.0       1.5
         167.0       1.2
         183.0       1.3
         184.0       1.2
         195.0       2.7
         196.0       1.5
         211.0       2.0
         212.0      67.9
         213.0      10.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H12 N2 O 0.030 g : 0.5 ml CDCl3
    3,4-diaminobenzophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.720 B 7.521 C 7.441 D 7.304 E 7.225 F 6.666 G 3.65

         Hz     ppm     Int.
    

       3092.04   7.737    109
       3090.21   7.733    616
       3088.87   7.729    757
       3087.52   7.726    356
       3084.11   7.718    247
       3082.03   7.712    978
       3080.57   7.709    797
       3016.36   7.548     95
       3015.01   7.545    178
       3013.67   7.541    105
       3009.89   7.532    133
       3007.57   7.526    453
       3005.49   7.521    155
       3001.59   7.511    247
       3000.24   7.508    408
       2998.78   7.504    211
       2981.57   7.461    159
       2979.86   7.457    656
       2978.39   7.453    286
       2973.51   7.441    520
       2972.17   7.437    943
       2970.70   7.434    257
       2966.55   7.423    171
       2965.09   7.420    392
       2963.99   7.417    252
       2920.17   7.307    915
       2918.33   7.303   1000
       2915.04   7.294     30
       2892.82   7.239    542
       2890.99   7.234    471
       2884.77   7.219    583
       2882.81   7.214    523
       2667.97   6.676    958
       2659.79   6.656    887
       1459.72   3.653    198
    

in CDCl3



KBr disc



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