2',5'-Dichloroacetophenone(2476-37-1) ¹³C NMR

Product Name2',5'-Dichloroacetophenone

CAS 2476-37-1

Molecular FormulaC8H6Cl2O

Molecular Weight189.04

InChIInChI=1S/C8H6Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3

InChIKey CYNFEPKQDJHIMV-UHFFFAOYSA-N

SmilesC(=O)(C1=CC(Cl)=CC=C1Cl)C

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2',5'-Dichloroacetophenone(2476-37-1) <sup>13</sup>C NMR
Mass

MS-IW-9449          
2',5'-dichloroacetophenone
C8H6Cl2O            (Mass of molecular ion:    188)

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

      15.0       3.1
      36.0       1.2
      37.0       1.8
      38.0       1.4
      39.0       1.0
      42.0       1.5
      43.0      48.8
      44.0       1.7
      49.0       1.6
      50.0       5.9
      51.0       1.9
      54.5       1.3
      55.0       1.4
      61.0       1.9
      62.0       2.0
      63.0       2.3
      72.5       1.6
      73.0       4.0
      73.5       1.1
      74.0      12.2
      75.0      12.0
      76.0       1.0
      84.0       3.0
      85.0       2.7
      86.0       1.7
      86.5       3.0
      87.0       1.6
      87.5       2.0
      89.0       1.7
     109.0      12.2
     110.0       4.7
     111.0       6.1
     112.0       1.6
     125.0       1.0
     145.0      30.3
     146.0       4.9
     147.0      19.6
     148.0       3.0
     149.0       3.3
     173.0     100.0
     174.0       7.9
     175.0      64.4
     176.0       5.0
     177.0      10.5
     188.0      29.6
     189.0       2.8
     190.0      19.2
     191.0       1.8
     192.0       3.2

400 MHz in CDCl3

2',5'-Dichloroacetophenone(2476-37-1) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₈ H₆ Cl₂ O	0.05 ml : 0.5 ml CDCl₃
2',5'-dichloroacetophenone

    Assign.     Shift(ppm)

      A             7.519
      B             7.35
      C             2.639

     Hz     ppm     Int.

   3006.35   7.523    176
   3005.00   7.520    223
   3003.42   7.516    178
   2938.84   7.354    434
   2937.13   7.350    524
   1055.05   2.640   1000
   1051.64   2.632     37

in CDCl3