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(E)-4-ethoxy-1,1,1-trifluoro-but-3-en-2-one
SpectraBase Compound ID 8Fw2DzmmE4K
InChI InChI=1S/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3+
InChIKey YKYIFUROKBDHCY-ONEGZZNKSA-N
Mol Weight 168.12 g/mol
Molecular Formula C6H7F3O2
Exact Mass 168.039814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5u2wyOnDD14
Name (E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
Appearance Brownish liquid
Carrier Gas Helium (1.1 ml/min)
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Exact Mass 168.039813952 u
Formula C6H7F3O2
GC Column VF (30 m x 0.25 mm, film thickness 5 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3+
InChIKey YKYIFUROKBDHCY-ONEGZZNKSA-N
Instrument Name Shimadzu GC-MS-QP 5050
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202300318
Molecular Weight 168.115 g/mol
Quality 597
SMILES C(C)O\C=C\C(=O)C(F)(F)F
SPLASH splash10-00dj-9000000000-00ecdc32c2aa99668968
Source of Spectrum AJO-12-SM8-1, ETFBO (DOI: 10.1002/ajoc.202300318)
Wiley ID 1909760