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2,6-Dibromo-5,8-dihydroxy-3-methyl-1,4-naphthalenedione
SpectraBase Compound ID IN8Hw1lf4WE
InChI InChI=1S/C11H6Br2O4/c1-3-8(13)11(17)6-5(14)2-4(12)10(16)7(6)9(3)15/h2,14,16H,1H3
InChIKey FVTRPACJZQSNIQ-UHFFFAOYSA-N
Mol Weight 361.97 g/mol
Molecular Formula C11H6Br2O4
Exact Mass 359.863285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pFK79TyYJb
Name 2,6-Dibromo-5,8-dihydroxy-3-methyl-1,4-naphthalenedione
CAS Registry Number 104506-33-4
Comments Removed - expert review: solvent contamination (chloroform)); A corrected record has been addded having SpectrumID: 1718245; Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6Br2O4
InChI InChI=1S/C11H6Br2O4/c1-3-8(13)11(17)6-5(14)2-4(12)10(16)7(6)9(3)15/h2,14,16H,1H3
InChIKey FVTRPACJZQSNIQ-UHFFFAOYSA-N
Molecular Weight 361.973 g/mol
SMILES Oc1c(cc(c2C(C(=C(C(c12)=O)C)Br)=O)O)Br
SPLASH splash10-03e9-9233000000-efa8c9e2416b747903bd
Source of Spectrum W5-1989-34838-30698
Synonyms 2,6-Dibromo-5,8-dihydroxy-3-methylnaphthoquinone
Wiley ID 1347963