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(3E)-3-(3-bromo-4,5-dihydroxy-1-keto-2-naphthylidene)-8-hydroxy-tetralin-1,2,4-trione
SpectraBase Compound ID 9yoizqeGpiF
InChI InChI=1S/C20H9BrO7/c21-15-13(16(24)7-3-1-5-9(22)11(7)18(15)26)14-17(25)8-4-2-6-10(23)12(8)19(27)20(14)28/h1-6,22-23,26H/b14-13-
InChIKey WAISRKVMRMNXBZ-YPKPFQOOSA-N
Mol Weight 441.19 g/mol
Molecular Formula C20H9BrO7
Exact Mass 439.953166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBePCVIadOl
Name (3E)-3-(3-bromo-4,5-dihydroxy-1-keto-2-naphthylidene)-8-hydroxy-tetralin-1,2,4-trione
CAS Registry Number 88381-89-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H9BrO7
InChI InChI=1S/C20H9BrO7/c21-15-13(16(24)7-3-1-5-9(22)11(7)18(15)26)14-17(25)8-4-2-6-10(23)12(8)19(27)20(14)28/h1-6,22-23,26H/b14-13-
InChIKey WAISRKVMRMNXBZ-YPKPFQOOSA-N
Molecular Weight 441.189 g/mol
SMILES Oc1cccc2c1C(=C(\C(=C\1C(C(c3c(cccc3O)C1=O)=O)=O)C2=O)Br)O
SPLASH splash10-03e9-9306000000-4518a2879bd7b2847d24
Source of Spectrum W5-1989-34916-30620
Synonyms (3E)-3-(3-bromo-4,5-dihydroxy-1-oxo-2-naphthalenylidene)-8-hydroxynaphthalene-1,2,4-trione (3E)-3-(3-bromo-4,5-dihydroxy-1-oxo-2-naphthylidene)-8-hydroxy-tetralin-1,2,4-trione (3E)-3-(3-bromo-4,5-dihydroxy-1-oxonaphthalen-2-ylidene)-8-hydroxynaphthalene-1,2,4-trione (3E)-3-[3-bromanyl-4,5-bis(oxidanyl)-1-oxidanylidene-naphthalen-2-ylidene]-8-oxidanyl-naphthalene-1,2,4-trione
Wiley ID 1384564