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579-39-5

4,4'-二氟苯偶酰(579-39-5)質譜(MS)

產品名稱:4,4'-二氟苯偶酰

CAS:579-39-5

分子式:C14H8F2O2

分子量: 246.21

InChI:InChI=1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H

InChIKey: BRKULQOUSCHDGS-UHFFFAOYSA-N

Smiles:C(C1=CC=C(F)C=C1)(=O)C(C1=CC=C(F)C=C1)=O

  • 圖譜
    Mass 

    MS-IW-6973          
4,4'-difluorobenzil
C14H8F2O2           (Mass of molecular ion:    246)


       Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV


          69.0       1.1
      75.0       5.8
      95.0      24.5
      96.0       1.6
     123.0     100.0
     124.0       7.7
     246.0       3.1

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C14 H8 F2 O2 0.040 g : 0.5 ml CDCl3
    4,4'-difluorobenzil
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.025
      B             7.201
  

         Hz     ppm     Int.


       3217.16   8.050    103
   3214.36   8.043    670
   3212.28   8.038    282
   3209.11   8.030    718
   3207.52   8.026    383
   3207.03   8.025    378
   3205.44   8.021    729
   3202.27   8.013    287
   3200.07   8.008    688
   3197.27   8.001     95
   2889.16   7.230    107
   2886.35   7.223    695
   2884.28   7.218    236
   2880.86   7.209    165
   2879.52   7.206    332
   2878.05   7.202   1000
   2876.10   7.197    309
   2874.76   7.194    140
   2871.22   7.185    239
   2869.14   7.180    652
   2866.33   7.173     86

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

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