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6-Hydroxy-2-(4-hydroxyphenyl)-3-(2',3',4',5',6'-pentafluorobenzoyl)benzo[b]thiophene
SpectraBase Compound ID 876Vli9KkBu
InChI InChI=1S/C21H9F5O3S/c22-15-14(16(23)18(25)19(26)17(15)24)20(29)13-11-6-5-10(28)7-12(11)30-21(13)8-1-3-9(27)4-2-8/h1-7,27-28H
InChIKey XFBKSFCGZVWYOS-UHFFFAOYSA-N
Mol Weight 436.35 g/mol
Molecular Formula C21H9F5O3S
Exact Mass 436.019256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1R5LnM0dzxA
Name 6-Hydroxy-2-(4-hydroxyphenyl)-3-(2',3',4',5',6'-pentafluorobenzoyl)benzo[b]thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H9F5O3S
InChI InChI=1S/C21H9F5O3S/c22-15-14(16(23)18(25)19(26)17(15)24)20(29)13-11-6-5-10(28)7-12(11)30-21(13)8-1-3-9(27)4-2-8/h1-7,27-28H
InChIKey XFBKSFCGZVWYOS-UHFFFAOYSA-N
Molecular Weight 436.352 g/mol
SMILES Oc1cc2c(c(c(-c3ccc(cc3)O)s2)C(c2c(c(F)c(c(c2F)F)F)F)=O)cc1
SPLASH splash10-000i-0130900000-99ee65356f15f151dde7
Source of Spectrum J-56-3132-20
Synonyms [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl](2,3,4,5,6-pentafluorophenyl)methanone
Wiley ID 1383416