Chlorodifluoroacetic acid ethyl ester(383-62-0) ¹³C NMR

Product NameChlorodifluoroacetic acid ethyl ester

CAS 383-62-0

Molecular FormulaC4H5ClF2O2

Molecular Weight158.53

InChIInChI=1S/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChIKey GVCAWQUJCHZRCB-UHFFFAOYSA-N

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

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9330          
ethyl chlorodifluoroacetate
C4H5ClF2O2          (Mass of molecular ion:    158)

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

      15.0       1.1
      26.0       1.8
      27.0      15.1
      28.0       6.3
      29.0     100.0
      30.0       2.5
      31.0       1.5
      43.0       1.4
      44.0       1.0
      45.0       1.3
      49.0       1.2
      50.0       2.3
      51.0       5.9
      59.0       2.4
      73.0       2.5
      78.0       1.5
      85.0      19.7
      87.0       6.2
      95.0       1.0
     115.0       1.9
     123.0       4.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₅ Cl F₂ O₂	0.05 ml : 0.5 ml CDCl₃
ethyl chlorodifluoroacetate

    Assign.     Shift(ppm)

      A             4.425
      B             1.404

     Hz     ppm     Int.

   1779.05   4.452    175
   1771.97   4.434    456
   1764.77   4.416    454
   1757.57   4.398    173
    568.36   1.423    627
    565.80   1.416     32
    561.16   1.405   1000
    553.96   1.387    598

in CDCl3