3-Fluoro-4-methoxyacetophenone(455-91-4) ¹³C NMR

Product Name3-Fluoro-4-methoxyacetophenone

CAS 455-91-4

Molecular FormulaC9H9FO2

Molecular Weight168.16

InChIInChI=1S/C9H9FO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3

InChIKey LQASUDVYVOFKNK-UHFFFAOYSA-N

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

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Mass

MS-IW-8987          
3'-fluoro-4'-methoxyacetophenone
C9H9FO2             (Mass of molecular ion:    168)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.3
      28.0       1.0
      31.0       1.0
      43.0      11.9
      50.0       1.9
      51.0       1.9
      57.0       1.6
      62.0       1.0
      63.0       2.7
      68.0       1.1
      74.0       1.1
      75.0       2.8
      77.0       6.2
      81.0       3.2
      82.0       7.9
      83.0       1.4
      94.0       2.1
      95.0      15.1
      96.0       2.3
      97.0       2.3
     110.0       8.8
     111.0       1.1
     125.0      20.3
     126.0       1.7
     138.0       1.1
     153.0     100.0
     154.0       8.8
     168.0      36.2
     169.0       3.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ F O₂	0.040 g : 0.5 ml CDCl₃
3'-fluoro-4'-methoxyacetophenone

    Assign.     Shift(ppm)

      A             7.737
      B             7.687
      C             7.000
      D             3.956
      E             2.552

     Hz     ppm     Int.

   3098.14   7.753     53
   3097.05   7.750     55
   3096.07   7.747     62
   3094.97   7.745     60
   3089.60   7.731     56
   3088.50   7.729     55
   3087.52   7.726     69
   3086.43   7.723     71
   3079.10   7.705    114
   3077.03   7.700     84
   3067.26   7.675    112
   3065.19   7.670     93
   2806.03   7.022     74
   2797.73   7.001    128
   2789.43   6.980     72
   1581.18   3.957    819
   1019.90   2.552   1000
   1016.72   2.545     27
      0.00   0.001    219

in CDCl3