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1-Phenyl-4,4,4-trifluorobut-2-yn-1-one
SpectraBase Compound ID K20CHysSqvI
InChI InChI=1S/C10H5F3O/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8/h1-5H
InChIKey YRHOJLGGUNVJGQ-UHFFFAOYSA-N
Mol Weight 198.14 g/mol
Molecular Formula C10H5F3O
Exact Mass 198.029249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QLWpmvJZyb
Name 1-Phenyl-4,4,4-trifluorobut-2-yn-1-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H5F3O
InChI InChI=1S/C10H5F3O/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8/h1-5H
InChIKey YRHOJLGGUNVJGQ-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010 Ultra
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.202001071
Molecular Weight 198.144 g/mol
Reported Formula C10H5F3O
SMILES c1cccc(C(C#CC(F)(F)F)=O)c1
SPLASH splash10-0fba-3900000000-5846b271564cba3c15f8
Source of Spectrum U1-2020-SM15-4a
Wiley ID 1861013