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349-58-6

3,5-二三氟甲基苯酚(349-58-6)Raman光谱

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

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    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

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    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

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liquid film

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