2-Amino-5-chloro-2'-fluorobenzophenone(784-38-3) ¹³C NMR

Product Name2-Amino-5-chloro-2'-fluorobenzophenone

CAS 784-38-3

Molecular FormulaC13H9ClFNO

Molecular Weight249.67

InChIInChI=1S/C13H9ClFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2

InChIKey GTGMXPIQRQSORU-UHFFFAOYSA-N

SmilesC(C1=CC(Cl)=CC=C1N)(C1=CC=CC=C1F)=O

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Mass

MS-KW-0091          
2-amino-5-chloro-2'-fluorobenzophenone
C13H9ClFNO          (Mass of molecular ion:    249)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.4
      38.0       1.2
      39.0       2.7
      41.0       1.3
      50.0       2.0
      51.0       2.1
      52.0       3.2
      62.0       2.5
      63.0       9.0
      64.0       2.8
      65.0       2.2
      69.0       2.1
      73.0       2.9
      74.0       2.0
      75.0      11.3
      76.0       1.6
      77.0       1.0
      82.5       1.6
      89.0       1.1
      90.0       9.6
      91.0       4.6
      92.0       1.2
      92.5       6.5
      93.0       1.6
      94.0       1.8
      95.0      30.7
      96.0       2.4
      98.0       1.6
      99.0      11.9
     100.0       1.6
     101.0       4.1
     105.0       1.4
     106.0       1.2
     106.5       2.4
     107.0       7.9
     107.5       1.0
     123.0      46.5
     124.0       4.3
     124.5       2.2
     125.0       3.0
     126.0      20.8
     127.0       2.7
     128.0       6.8
     139.0       1.5
     153.0       4.4
     154.0      37.1
     155.0       4.6
     156.0      12.1
     157.0       2.8
     164.0       1.3
     165.0       1.1
     166.0       2.4
     167.0       1.2
     184.0       2.2
     185.0       5.3
     186.0       1.4
     194.0       2.3
     195.0       3.6
     200.0       1.3
     201.0       2.2
     213.0       5.9
     214.0       2.2
     220.0       3.8
     221.0       1.1
     222.0       1.3
     228.0       2.1
     229.0      13.5
     230.0      21.6
     231.0       7.4
     232.0      18.2
     233.0       2.7
     234.0       3.9
     248.0      72.1
     249.0     100.0
     250.0      37.4
     251.0      32.7
     252.0       4.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₉ Cl F N O	0.039 g : 0.5 ml CDCl₃
2-amino-5-chloro-2'-fluorobenzophenone

    Assign.     Shift(ppm)

      A             7.485
      B             7.401
      C             7.27
      D             7.25
      E             7.225
      G             7.167
      J             6.663
      K             6.40

     Hz     ppm     Int.

   3003.54   7.516    125
   3001.71   7.511    142
   2998.17   7.502    148
   2996.22   7.498    270
   2995.12   7.495    225
   2994.26   7.493    231
   2993.41   7.491    208
   2990.72   7.484    201
   2989.87   7.482    219
   2989.01   7.480    246
   2987.92   7.477    298
   2985.96   7.472    196
   2982.42   7.463    164
   2980.71   7.459    173
   2966.31   7.423    238
   2964.60   7.418    233
   2958.86   7.404    419
   2957.28   7.400    378
   2951.90   7.387    309
   2950.20   7.382    266
   2908.69   7.279    492
   2906.25   7.272   1000
   2904.17   7.267    866
   2901.00   7.259    245
   2897.83   7.251    639
   2896.85   7.249    658
   2893.07   7.240    678
   2890.50   7.233    697
   2889.40   7.230    368
   2884.28   7.218    651
   2881.71   7.211    539
   2878.05   7.202     46
   2877.32   7.200     50
   2873.29   7.190    328
   2872.44   7.188    313
   2863.77   7.166    526
   2855.22   7.145    278
   2854.37   7.143    268
   2667.24   6.674    920
   2658.45   6.652    855
   2555.91   6.396    287

in CDCl3