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3-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6-hydroxy-2-(4-hydroxyphenyl)-7-iodobenzo[b]thiophene
SpectraBase Compound ID KhpNjcKPKOS
InChI InChI=1S/C21H8F4IN3O3S/c22-13-12(14(23)16(25)18(15(13)24)28-29-27)19(32)11-9-5-6-10(31)17(26)21(9)33-20(11)7-1-3-8(30)4-2-7/h1-6,30-31H
InChIKey LJPFZMBQYGUPGO-UHFFFAOYSA-N
Mol Weight 585.27 g/mol
Molecular Formula C21H8F4IN3O3S
Exact Mass 584.92672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqVeX58Co6D
Name 3-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6-hydroxy-2-(4-hydroxyphenyl)-7-iodobenzo[b]thiophene
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Formula C21H8F4IN3O3S
InChI InChI=1S/C21H8F4IN3O3S/c22-13-12(14(23)16(25)18(15(13)24)28-29-27)19(32)11-9-5-6-10(31)17(26)21(9)33-20(11)7-1-3-8(30)4-2-7/h1-6,30-31H
InChIKey LJPFZMBQYGUPGO-UHFFFAOYSA-N
Molecular Weight 585.271 g/mol
SMILES Oc1c(c2c(c(c(-c3ccc(cc3)O)s2)C(c2c(c(F)c(c(c2F)F)N=[N+]=[N-])F)=O)cc1)I
SPLASH splash10-0udi-0091020000-b432cc10e6168e3d85cb
Source of Spectrum J-56-3132-21
Synonyms (4-azido-2,3,5,6-tetrafluorophenyl)[6-hydroxy-2-(4-hydroxyphenyl)-7-iodo-1-benzothien-3-yl]methanone
Wiley ID 1408931