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4,5-Dichloro-10-(2-nitrobenzyl)-10H-anthracen-9-one
SpectraBase Compound ID GHhug9zuc2I
InChI InChI=1S/C21H13Cl2NO3/c22-16-8-3-6-13-19(16)15(11-12-5-1-2-10-18(12)24(26)27)20-14(21(13)25)7-4-9-17(20)23/h1-10,15H,11H2
InChIKey IOFPOIDKYXYVSP-UHFFFAOYSA-N
Mol Weight 398.25 g/mol
Molecular Formula C21H13Cl2NO3
Exact Mass 397.027249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXfskDQXSF9
Name 4,5-Dichloro-10-(2-nitrobenzyl)-10H-anthracen-9-one
Comments Less than 3 mono-isotopic peaks
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Formula C21H13Cl2NO3
InChI InChI=1S/C21H13Cl2NO3/c22-16-8-3-6-13-19(16)15(11-12-5-1-2-10-18(12)24(26)27)20-14(21(13)25)7-4-9-17(20)23/h1-10,15H,11H2
InChIKey IOFPOIDKYXYVSP-UHFFFAOYSA-N
Molecular Weight 398.245 g/mol
SMILES C1(c2c(c(Cl)ccc2)C(c2c1cccc2Cl)Cc1c(N(=O)=O)cccc1)=O
SPLASH splash10-03di-0091000000-60fda7d797b617cc8b47
Source of Spectrum F2-45-5283-5m
Synonyms 4,5-dichloro-10-[(2-nitrophenyl)methyl]-10H-anthracen-9-one
Wiley ID 1704037