Ethyl difluoroacetate(454-31-9) MS
Product NameEthyl difluoroacetate
CAS454-31-9
Molecular FormulaC4H6F2O2
Molecular Weight124.09
InChIInChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey GZKHDVAKKLTJPO-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(F)F
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MassMS-IW-9086 ethyl difluoroacetate C4H6F2O2 (Mass of molecular ion: 124)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.3 17.0 1.1 18.0 5.3 26.0 2.5 27.0 21.5 28.0 15.2 29.0 100.0 30.0 2.5 31.0 5.3 32.0 2.6 43.0 2.7 44.0 2.5 45.0 17.7 49.0 1.0 50.0 1.0 51.0 38.5 52.0 1.0 60.0 1.5 67.0 1.4 73.0 1.6 76.0 1.2 77.0 1.9 79.0 1.6 81.0 16.8 95.0 2.2 96.0 1.3 97.0 1.2
parameter in DMSO-d6
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1H NMR 300 MHz C4 H6 F2 O2 0.05 ml : 0.5 ml DMSO-d6 ethyl difluoroacetate 
Parameter ppm Hz
D(A) 6.419 J(A,F-19) 52.5 D(B) 4.298 D(C) 1.275 J(B,C) 7.1
Hz ppm Int.1978.18 6.594 166 1925.71 6.419 332 1873.19 6.244 166 1300.08 4.334 164 1293.01 4.310 494 1285.93 4.286 500 1278.85 4.263 171 389.59 1.299 509 382.51 1.275 1000 375.43 1.251 493
in DMSO-d6
liquid film
