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3-(2,2,3,3,3-Pentafluoro-propionyl)-thiochromen-4-one
SpectraBase Compound ID CklwhqCw1yC
InChI InChI=1S/C12H5F5O2S/c13-11(14,12(15,16)17)10(19)7-5-20-8-4-2-1-3-6(8)9(7)18/h1-5H
InChIKey WJDUAIGNEULQHE-UHFFFAOYSA-N
Mol Weight 308.22 g/mol
Molecular Formula C12H5F5O2S
Exact Mass 307.993041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vzjXIi0GBX
Name 3-(2,2,3,3,3-Pentafluoro-propionyl)-thiochromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H5F5O2S
InChI InChI=1S/C12H5F5O2S/c13-11(14,12(15,16)17)10(19)7-5-20-8-4-2-1-3-6(8)9(7)18/h1-5H
InChIKey WJDUAIGNEULQHE-UHFFFAOYSA-N
Molecular Weight 308.222 g/mol
SMILES C=1(C(C(C(F)(F)F)(F)F)=O)C(c2c(cccc2)SC1)=O
SPLASH splash10-000i-0902000000-fed6660bd565c2cca934
Source of Spectrum F-65-7545-8c
Synonyms 3-(Pentafluoropropanoyl)thiochromone
Wiley ID 1680354