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

Product Name(3,4-Diaminophenyl)phenylmethanone

CAS 39070-63-8

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

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

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

¹H NMR	399.65 MHz
C₁₃ H₁₂ N₂ O	0.030 g : 0.5 ml CDCl₃
3,4-diaminobenzophenone

    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