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4,5-Dichloro-10-(3-hydroxy-4-methoxybenzyl)-10H-anthracen-9-one
SpectraBase Compound ID 44FXD2iAT4m
InChI InChI=1S/C22H16Cl2O3/c1-27-19-9-8-12(11-18(19)25)10-15-20-13(4-2-6-16(20)23)22(26)14-5-3-7-17(24)21(14)15/h2-9,11,15,25H,10H2,1H3
InChIKey NPZFZVSOBJBADD-UHFFFAOYSA-N
Mol Weight 399.27 g/mol
Molecular Formula C22H16Cl2O3
Exact Mass 398.04765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3d4LtfxiAfK
Name 4,5-Dichloro-10-(3-hydroxy-4-methoxybenzyl)-10H-anthracen-9-one
Alternate Name(s) 4,5-dichloro-10-[(3-hydroxy-4-methoxyphenyl)methyl]-10H-anthracen-9-one 4,5-dichloro-10-[(3-hydroxy-4-methoxy-phenyl)methyl]-10H-anthracen-9-one 4,5-bis(chloranyl)-10-[(4-methoxy-3-oxidanyl-phenyl)methyl]-10H-anthracen-9-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16Cl2O3
InChI InChI=1S/C22H16Cl2O3/c1-27-19-9-8-12(11-18(19)25)10-15-20-13(4-2-6-16(20)23)22(26)14-5-3-7-17(24)21(14)15/h2-9,11,15,25H,10H2,1H3
InChIKey NPZFZVSOBJBADD-UHFFFAOYSA-N
Molecular Weight 399.273 g/mol
SMILES Oc1cc(CC2c3c(C(c4c2c(Cl)ccc4)=O)cccc3Cl)ccc1OC
SPLASH splash10-000i-0900000000-a5cbaefec9c91c34c490
Source of Spectrum F2-45-5284-5x
Wiley ID 1704026