3-CHLORO-4'-FLUOROPROPIOPHENONE(347-93-3) ¹³C NMR

Product Name3-CHLORO-4'-FLUOROPROPIOPHENONE

CAS 347-93-3

Molecular FormulaC9H8ClFO

Molecular Weight186.61

InChIInChI=1S/C9H8ClFO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2

InChIKey AAHQPLJUSLMHHR-UHFFFAOYSA-N

SmilesC(C1=CC=C(F)C=C1)(=O)CCCl

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Mass

MS-KW-0280          
3-chloro-4'-fluoropropiophenone
C9H8ClFO            (Mass of molecular ion:    186)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       4.0
      36.0       3.3
      38.0       1.3
      50.0       3.1
      51.0       2.3
      55.0       3.6
      63.0       1.6
      68.0       1.3
      69.0       2.4
      74.0       2.0
      75.0      12.3
      76.0       1.1
      94.0       2.6
      95.0      38.7
      96.0       3.3
     101.0       1.0
     122.0       2.2
     123.0     100.0
     124.0       7.7
     149.0       1.5
     150.0       9.4
     151.0       6.3
     186.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉H₈ClFO	0.041 g : 0.5 ml CDCl₃
3-chloro-4'-fluoropropiophenone

    Assign.     Shift(ppm)

     A           7.993
     B           7.154
     C           3.918
     D           3.439

     Hz     ppm     Int.

   3205.57   8.019     56
   3202.64   8.011    367
   3200.57   8.006    158
   3197.39   7.998    381
   3195.81   7.994    187
   3193.85   7.989    397
   3190.68   7.982    159
   3188.48   7.976    382
   3185.43   7.968     56
   2871.46   7.183     59
   2868.54   7.176    404
   2866.46   7.171    129
   2863.04   7.162     78
   2861.70   7.159    149
   2860.11   7.155    571
   2859.87   7.154    568
   2858.28   7.150    163
   2856.82   7.146     73
   2853.40   7.138    122
   2851.32   7.133    367
   2848.27   7.125     52
   1573.37   3.936    476
   1566.66   3.919   1000
   1559.94   3.902    550
   1381.11   3.455    543
   1374.39   3.438    978
   1367.68   3.422    452

in CDCl3