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3-(4-Aminobenzoyl)-6-hydroxy-2-(4-hydroxyphenyl)-7-iodobenzo[b]thiophene
SpectraBase Compound ID 4Z434lGdiYi
InChI InChI=1S/C21H14INO3S/c22-18-16(25)10-9-15-17(19(26)11-1-5-13(23)6-2-11)20(27-21(15)18)12-3-7-14(24)8-4-12/h1-10,24-25H,23H2
InChIKey XAYCVIYNZYVTGL-UHFFFAOYSA-N
Mol Weight 487.31 g/mol
Molecular Formula C21H14INO3S
Exact Mass 486.973909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Skwskby1UB
Name 3-(4-Aminobenzoyl)-6-hydroxy-2-(4-hydroxyphenyl)-7-iodobenzo[b]thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14INO3S
InChI InChI=1S/C21H14INO3S/c22-18-16(25)10-9-15-17(19(26)11-1-5-13(23)6-2-11)20(27-21(15)18)12-3-7-14(24)8-4-12/h1-10,24-25H,23H2
InChIKey XAYCVIYNZYVTGL-UHFFFAOYSA-N
Molecular Weight 487.311 g/mol
SMILES Oc1c(c2c(c(c(-c3ccc(cc3)O)s2)C(c2ccc(cc2)N)=O)cc1)I
SPLASH splash10-0f96-0490000000-f2a7cb896e3377378096
Source of Spectrum J-56-3132-22
Synonyms (4-aminophenyl)[6-hydroxy-2-(4-hydroxyphenyl)-7-iodo-1-benzothien-3-yl]methanone
Wiley ID 1396668