Product NameTRIS(P-FLUOROPHENYL)METHYLBROMIDE

CAS

Molecular FormulaC19H12BrF3

Molecular Weight377.1977896

InChIInChI=1S/C19H12BrF3/c20-19(13-1-7-16(21)8-2-13,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H

InChIKey DYMCGODRYMABQY-UHFFFAOYSA-N

SmilesC(Br)(C1=CC=C(F)C=C1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1

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Mass

MS-IW-5665          
tris(p-fluorophenyl)methyl bromide
C19H12BrF3          (Mass of molecular ion:    376)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

     125.5       1.4
     127.5       1.1
     128.0       2.0
     128.5       1.3
     131.0       1.1
     136.5       1.0
     137.0       1.3
     137.5       5.7
     138.0       3.7
     138.5       1.3
     146.0       2.0
     147.0       1.3
     148.5       2.2
     181.0       1.7
     183.0       1.0
     199.0       1.3
     200.0       1.8
     201.0      40.7
     202.0       7.3
     203.0       2.3
     221.0       1.2
     251.0       1.7
     257.0       1.4
     264.0       1.0
     269.0       1.1
     273.0       1.1
     275.0       6.5
     276.0       2.3
     277.0       4.5
     278.0       1.2
     282.0       1.4
     293.0       4.4
     294.0       2.7
     295.0      17.2
     296.0      11.3
     297.0     100.0
     298.0      22.8
     299.0       2.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₉ H₁₂ Br F₃	0.042 g : 0.5 ml CDCl₃
tris(p-fluorophenyl)methyl bromide

    Assign.     Shift(ppm)

      A             7.246
      B             6.982

     Hz     ppm     Int.

   2906.62   7.273     85
   2903.32   7.265    713
   2901.12   7.260    284
   2898.07   7.252    754
   2896.97   7.249    359
   2896.48   7.248    374
   2895.87   7.247    346
   2894.29   7.243    829
   2891.24   7.235    318
   2889.04   7.229    798
   2885.74   7.221    102
   2884.28   7.218     37
   2801.88   7.011    109
   2798.58   7.003    876
   2796.26   6.997    264
   2793.58   6.991    144
   2791.75   6.986    308
   2790.28   6.982   1000
   2788.09   6.977    312
   2786.25   6.972    112
   2783.45   6.965    244
   2781.25   6.960    686
   2777.95   6.951     74

in CDCl3

KBr disc

nujol mull

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