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4-Bromo-11-hydroxy-1-methoxy-3-methylbenz[a]-anthracene-7,12-dione
SpectraBase Compound ID 9PBxtc1WKVl
InChI InChI=1S/C20H13BrO4/c1-9-8-14(25-2)16-10(18(9)21)6-7-12-17(16)20(24)15-11(19(12)23)4-3-5-13(15)22/h3-8,22H,1-2H3
InChIKey YSXOIAOJMNJBJS-UHFFFAOYSA-N
Mol Weight 397.22 g/mol
Molecular Formula C20H13BrO4
Exact Mass 395.999722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RncsS32no
Name 4-Bromo-11-hydroxy-1-methoxy-3-methylbenz[a]-anthracene-7,12-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13BrO4
InChI InChI=1S/C20H13BrO4/c1-9-8-14(25-2)16-10(18(9)21)6-7-12-17(16)20(24)15-11(19(12)23)4-3-5-13(15)22/h3-8,22H,1-2H3
InChIKey YSXOIAOJMNJBJS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo202448e
Molecular Weight 397.224 g/mol
SMILES Oc1c2c(ccc1)C(c1c(c3c(cc1)c(c(cc3OC)C)Br)C2=O)=O
SPLASH splash10-0032-0109000000-205be66d07aa49099101
Source of Spectrum J-77-2664-3k
Synonyms 4-Bromo-11-hydroxy-1-methoxy-3-methyltetraphene-7,12-dione 4-Bromo-11-hydroxy-1-methoxy-3-methylbenzo[a]anthracene-7,12-dione 4-Bromo-11-hydroxy-1-methoxy-3-methyl-benzo[a]anthracene-7,12-dione 4-Bromanyl-1-methoxy-3-methyl-11-oxidanyl-benzo[a]anthracene-7,12-dione
Wiley ID 1744989