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4,5-Dichloro-10-(3,4-dihydroxybenzyl)-10H-anthracen-9-one
SpectraBase Compound ID BNYtPVoh2Pd
InChI InChI=1S/C21H14Cl2O3/c22-15-5-1-3-12-19(15)14(9-11-7-8-17(24)18(25)10-11)20-13(21(12)26)4-2-6-16(20)23/h1-8,10,14,24-25H,9H2
InChIKey NQGYCDISSZSOOF-UHFFFAOYSA-N
Mol Weight 385.25 g/mol
Molecular Formula C21H14Cl2O3
Exact Mass 384.032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 425FJWYmnRm
Name 4,5-Dichloro-10-(3,4-dihydroxybenzyl)-10H-anthracen-9-one
Alternate Name(s) 4,5-dichloro-10-[(3,4-dihydroxyphenyl)methyl]-10H-anthracen-9-one 10-[[3,4-bis(oxidanyl)phenyl]methyl]-4,5-bis(chloranyl)-10H-anthracen-9-one
Comments Less than 3 mono-isotopic peaks
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Formula C21H14Cl2O3
InChI InChI=1S/C21H14Cl2O3/c22-15-5-1-3-12-19(15)14(9-11-7-8-17(24)18(25)10-11)20-13(21(12)26)4-2-6-16(20)23/h1-8,10,14,24-25H,9H2
InChIKey NQGYCDISSZSOOF-UHFFFAOYSA-N
Molecular Weight 385.246 g/mol
SMILES Oc1cc(ccc1O)CC1c2c(C(c3c1c(Cl)ccc3)=O)cccc2Cl
SPLASH splash10-03di-0090000000-d0874bea3aeb30737fdd
Source of Spectrum F2-45-5284-5w
Wiley ID 1704027