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10-[2-(4-bromophenyl)-1-oxoethyl]-1,8-dihydroxy-10H-anthracen-9-one
SpectraBase Compound ID 9QJyzhiRtYl
InChI InChI=1S/C22H15BrO4/c23-13-9-7-12(8-10-13)11-18(26)19-14-3-1-5-16(24)20(14)22(27)21-15(19)4-2-6-17(21)25/h1-10,19,24-25H,11H2
InChIKey KOFBSISXYWMBGI-UHFFFAOYSA-N
Mol Weight 423.26 g/mol
Molecular Formula C22H15BrO4
Exact Mass 422.015372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 565Ijr4HsO
Name 10-[2-(4-bromophenyl)-1-oxoethyl]-1,8-dihydroxy-10H-anthracen-9-one
Alternate Name(s) 10-[2-(4-bromophenyl)acetyl]-1,8-dihydroxy-10H-anthracen-9-one 10-[2-(4-bromophenyl)ethanoyl]-1,8-bis(oxidanyl)-10H-anthracen-9-one
Comments Less than 3 mono-isotopic peaks
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Formula C22H15BrO4
InChI InChI=1S/C22H15BrO4/c23-13-9-7-12(8-10-13)11-18(26)19-14-3-1-5-16(24)20(14)22(27)21-15(19)4-2-6-17(21)25/h1-10,19,24-25H,11H2
InChIKey KOFBSISXYWMBGI-UHFFFAOYSA-N
Molecular Weight 423.262 g/mol
SMILES Oc1cccc2C(c3cccc(c3C(c12)=O)O)C(Cc1ccc(cc1)Br)=O
SPLASH splash10-00di-0000900000-8c9670078852fe780b10
Source of Spectrum F2-44-819-3
Wiley ID 1639155