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3-(2,2,2-Trifluoro-acetyl)-thiochromen-4-one
SpectraBase Compound ID Fw7UPmgUrTL
InChI InChI=1S/C11H5F3O2S/c12-11(13,14)10(16)7-5-17-8-4-2-1-3-6(8)9(7)15/h1-5H
InChIKey SYOLORSFYNEYGZ-UHFFFAOYSA-N
Mol Weight 258.21 g/mol
Molecular Formula C11H5F3O2S
Exact Mass 257.996235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94W3R7Z6suN
Name 3-(2,2,2-Trifluoro-acetyl)-thiochromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H5F3O2S
InChI InChI=1S/C11H5F3O2S/c12-11(13,14)10(16)7-5-17-8-4-2-1-3-6(8)9(7)15/h1-5H
InChIKey SYOLORSFYNEYGZ-UHFFFAOYSA-N
Molecular Weight 258.214 g/mol
SMILES C=1(C(c2c(cccc2)SC1)=O)C(C(F)(F)F)=O
SPLASH splash10-000i-0940000000-5276ec8f61de5c08e748
Source of Spectrum F-65-7545-8a
Synonyms 3-(Trifluoroacetyl)thiochromone 3-(2,2,2-trifluoro-1-oxoethyl)-1-benzothiopyran-4-one 3-[2,2,2-tris(fluoranyl)ethanoyl]thiochromen-4-one
Wiley ID 1680356