ETHYL PENTAFLUOROPROPIONATE(426-65-3) ¹H NMR

Product NameETHYL PENTAFLUOROPROPIONATE

CAS 426-65-3

Molecular FormulaC5H5F5O2

Molecular Weight192.08

InChIInChI=1S/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3

InChIKey DBOFMRQAMAZKQY-UHFFFAOYSA-N

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

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Mass

MS-NW-6102          
ethyl pentafluoropropionate
C5H5F5O2            (Mass of molecular ion:    192)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.5
      26.0       2.4
      27.0      20.8
      28.0       8.0
      29.0     100.0
      30.0       2.2
      31.0       3.7
      33.0       2.1
      43.0       1.7
      45.0       1.1
      47.0       1.2
      50.0       1.6
      69.0       9.8
     100.0       2.0
     119.0      16.3
     147.0       4.0
     149.0       2.3
     177.0       1.1

parameter in CDCl3

¹H NMR	300 MHz
C₅ H₅ F₅ O₂	0.05 ml : 0.5 ml CDCl₃
ethyl pentafluoropropionate

    Parameter     ppm  Hz

      D(A)         4.447
      D(B)         1.393
       J(A,B)          7.12

     Hz     ppm     Int.

   1344.84   4.483    163
   1337.72   4.459    494
   1330.60   4.435    502
   1323.49   4.412    171
    425.00   1.417    507
    417.91   1.393   1000
    410.77   1.369    494

in CDCl3