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

¹HNMR

IR1

IR2

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

¹H NMR	399.65 MHz
C₁₃ H₂ F₁₀ O	0.039 g : 0.5 ml CDCl₃
bis(pentafluorophenyl)methanol

    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