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1766-76-3

十甲基苯氟酸酯(1766-76-3)红外图谱(IR2)

产品名称:十甲基苯氟酸酯

CAS:1766-76-3

分子式:C13H2F10O

分子量: 364.14

InChI:InChI=1S/C13H2F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17/h13,24H

InChIKey: WRLLBTKDSCJOBL-UHFFFAOYSA-N

Smiles:C1(C(F)=C(C(F)=C(F)C=1F)F)C(O)C1C(F)=C(C(F)=C(F)C=1F)F

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    Mass

    MS-IW-0802          
    bis(pentafluorophenyl)methanol
    C13H2F10O           (Mass of molecular ion:    364)
    

       Source Temperature: 180 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          29.0      10.3
          93.0       2.6
          98.0       1.5
          99.0       5.4
         117.0       6.3
         119.0       4.4
         123.5       1.1
         129.0       1.2
         139.0       1.5
         148.0       2.2
         149.0       5.1
         167.0       7.9
         168.0       7.5
         169.0       6.6
         171.5       1.1
         177.0      11.6
         178.0       1.4
         195.0      34.6
         196.0      13.8
         197.0     100.0
         198.0       7.7
         215.0       1.3
         247.0       1.7
         278.0       6.3
         296.0       1.2
         297.0       2.2
         309.0       1.6
         327.0       1.9
         344.0       7.1
         345.0       1.3
         347.0       6.5
         348.0       1.1
         363.0       1.7
         364.0      58.7
         365.0       8.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C13 H2 F10 O 0.039 g : 0.5 ml CDCl3
    bis(pentafluorophenyl)methanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.50 B 3.371

         Hz     ppm     Int.
    

       2604.13   6.517    973
       2593.87   6.491   1000
       1356.81   3.395     86
       1354.74   3.390    302
       1352.66   3.385    449
       1350.59   3.380    316
       1348.51   3.375    103
       1346.56   3.370     92
       1344.48   3.365    293
       1342.41   3.359    434
       1340.33   3.354    309
       1338.26   3.349     99
    

KBr disc

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nujol mull

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