DIETHYL HEXAFLUOROGLUTARATE(424-40-8) ¹H NMR

Product NameDIETHYL HEXAFLUOROGLUTARATE

CAS 424-40-8

Molecular FormulaC9H10F6O4

Molecular Weight296.16

InChIInChI=1S/C9H10F6O4/c1-3-18-5(16)7(10,11)9(14,15)8(12,13)6(17)19-4-2/h3-4H2,1-2H3

InChIKey MSDPXVBLFJODJO-UHFFFAOYSA-N

SmilesC(OCC)(=O)C(F)(F)C(F)(F)C(F)(F)C(OCC)=O

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2215          
diethyl hexafluoroglutarate
C9H10F6O4           (Mass of molecular ion:    296)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.7
      26.0       1.9
      27.0      29.3
      28.0       8.3
      29.0     100.0
      30.0       4.9
      31.0       7.4
      43.0       3.3
      44.0       1.0
      45.0      13.9
      51.0       1.0
      59.0       1.0
      64.0       1.9
      69.0       2.4
      73.0       4.5
      78.0       1.0
      91.0       1.3
      96.0       3.4
     100.0       9.7
     109.0       1.5
     112.0      11.3
     113.0       1.3
     119.0       5.0
     131.0      11.7
     132.0       2.5
     148.0       2.6
     150.0       1.6
     176.0      48.0
     177.0       2.5
     193.0       1.5
     195.0      14.5
     196.0       6.4
     204.0      15.2
     205.0       1.0
     221.0       1.8
     223.0      10.1
     224.0       2.0
     251.0       5.1

parameter in CDCl3

¹H NMR	300 MHz
C₉ H₁₀ F₆ O₄	0.05 ml : 0.5 ml CDCl₃
diethyl hexafluoroglutarate

    Parameter     ppm  Hz

      D(A)         4.438
      D(B)         1.387
       J(A,B)          7.2

     Hz     ppm     Int.

   1342.25   4.474    163
   1335.06   4.450    494
   1327.87   4.426    502
   1320.67   4.402    172
    423.26   1.411    507
    416.10   1.387   1000
    408.90   1.363    491

in CDCl3