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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>349-58-6更多圖譜> 3,5-二三氟甲基苯酚(349-58-6)Raman光譜

349-58-6

3,5-二三氟甲基苯酚(349-58-6)Raman光譜

產(chǎn)品名稱:3,5-二三氟甲基苯酚

CAS:349-58-6

分子式:C8H4F6O

分子量: 230.11

InChI:InChI=1S/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H

InChIKey: ODSXJQYJADZFJX-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-9539          
3,5-bis(trifluoromethyl)phenol
C8H4F6O             (Mass of molecular ion:    230)


       Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          18.0       3.2
      28.0       1.0
      38.0       1.2
      39.0       1.2
      43.0       1.9
      53.0       1.1
      57.0       2.0
      62.0       2.0
      63.0       5.5
      69.0       4.8
      75.0       3.6
      81.0       1.8
      83.0       2.9
      87.0       1.2
      88.0       1.4
     101.0       1.2
     112.0       1.3
     113.0       5.6
     114.0       1.9
     132.0      12.2
     133.0       3.6
     141.0       1.2
     143.0       2.0
     151.0       1.0
     161.0      21.9
     162.0       2.2
     163.0       9.8
     180.0      16.3
     181.0       6.0
     182.0      11.5
     183.0       1.4
     193.0       1.2
     201.0       1.8
     209.0       2.7
     210.0       1.3
     211.0      40.4
     212.0       3.6
     213.0       4.7
     229.0       4.2
     230.0     100.0
     231.0       8.8

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8 H4 F6 O 0.05 ml : 0.5 ml CDCl3
    3,5-bis(trifluoromethyl)phenol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.449
      B             7.270
      C             6.49
  

         Hz     ppm     Int.


       2977.66   7.451    427
   2977.05   7.450    465
   2919.92   7.307     27
   2917.24   7.300     21
   2905.76   7.271   1000
   2905.40   7.270    998
   2896.24   7.247     24
   2895.51   7.246     24
   2892.94   7.239     28
   2592.53   6.488    181

in CDCl3

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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