Methyl pentafluoropropionate(378-75-6) MS
Product NameMethyl pentafluoropropionate
CAS378-75-6
Molecular FormulaC4H3F5O2
Molecular Weight178.06
InChIInChI=1S/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3
InChIKey JMKJCPUVEMZGEC-UHFFFAOYSA-N
SmilesC(OC)(=O)C(F)(F)C(F)(F)F
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MassMS-IW-8229 methyl pentafluoropropionate C4H3F5O2 (Mass of molecular ion: 178)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 51.2 28.0 2.7 29.0 7.1 30.0 1.0 31.0 13.1 33.0 2.3 44.0 1.0 45.0 1.5 50.0 5.6 59.0 100.0 60.0 2.7 65.0 1.1 69.0 57.4 81.0 11.5 97.0 7.6 100.0 17.6 101.0 1.6 119.0 83.0 120.0 1.8 128.0 1.2 131.0 7.0 147.0 6.8 149.0 2.4 169.0 1.0
parameter in CDCl3
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1H NMR 300 MHz C4 H3 F5 O2 0.05 ml : 0.5 ml CDCl3 methyl pentafluoropropionate 
Parameter ppm Hz
D(A) 3.996
Hz ppm Int.1198.80 3.996 1000
in CDCl3
liquid film
