Ethyl bromodifluoroacetate(667-27-6) MS
Product NameEthyl bromodifluoroacetate
CAS667-27-6
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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MassMS-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
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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
liquid film
