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[4-Bromo-3-(4-methoxy-phenyl)-isothiazol-5-yl]-(4-nitro-phenyl)-methanone
SpectraBase Compound ID LdF3hgBGrWJ
InChI InChI=1S/C17H11BrN2O4S/c1-24-13-8-4-10(5-9-13)15-14(18)17(25-19-15)16(21)11-2-6-12(7-3-11)20(22)23/h2-9H,1H3
InChIKey GXXOMFAUAUHRJX-UHFFFAOYSA-N
Mol Weight 419.25 g/mol
Molecular Formula C17H11BrN2O4S
Exact Mass 417.962291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ez1wolD0QwK
Name [4-Bromo-3-(4-methoxy-phenyl)-isothiazol-5-yl]-(4-nitro-phenyl)-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11BrN2O4S
InChI InChI=1S/C17H11BrN2O4S/c1-24-13-8-4-10(5-9-13)15-14(18)17(25-19-15)16(21)11-2-6-12(7-3-11)20(22)23/h2-9H,1H3
InChIKey GXXOMFAUAUHRJX-UHFFFAOYSA-N
Molecular Weight 419.249 g/mol
SMILES c1(c(c(-c2ccc(cc2)OC)ns1)Br)C(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-00di-0902100000-15c13238126974c13720
Source of Spectrum KC-0-2251-8
Synonyms 4-Bromo-3-(4-methoxyphenyl)-5-(4-nitrophenyl)isothiazole [4-bromo-3-(4-methoxyphenyl)-5-isothiazolyl](4-nitrophenyl)methanone [4-bromo-3-(4-methoxyphenyl)-5-isothiazolyl]-(4-nitrophenyl)methanone [4-bromo-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-nitrophenyl)methanone [4-bromanyl-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-nitrophenyl)methanone
Wiley ID 823073