Ethyl bromodifluoroacetate(667-27-6) MS

Product NameEthyl bromodifluoroacetate

CAS 667-27-6

Molecular FormulaC4H5BrF2O2

Molecular Weight202.98

InChIInChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChIKey IRSJDVYTJUCXRV-UHFFFAOYSA-N

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

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-5472          
ethyl bromodifluoroacetate
C4H5BrF2O2          (Mass of molecular ion:    202)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.0
      26.0       3.6
      27.0      27.7
      28.0      14.5
      29.0     100.0
      30.0       5.3
      31.0       5.4
      43.0       3.4
      44.0       4.7
      45.0       4.2
      50.0       7.0
      51.0      12.9
      59.0       5.8
      73.0       8.1
      78.0       5.6
      79.0       3.7
      80.0       1.1
      81.0       1.9
      93.0       2.0
      95.0       3.4
     107.0       1.3
     109.0       1.3
     110.0       1.4
     112.0       1.1
     123.0      16.7
     129.0      25.1
     131.0      24.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₅ Br F₂ O₂	0.05 ml : 0.5 ml CDCl₃
ethyl bromodifluoroacetate

    Assign.     Shift(ppm)

      A             4.426
      B             1.402

     Hz     ppm     Int.

   1779.79   4.454    184
   1772.58   4.436    479
   1765.38   4.418    491
   1758.30   4.400    196
    567.75   1.421    615
    560.55   1.403   1000
    553.34   1.385    633
    502.69   1.258     21

in CDCl3