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Benz[a]anthracene-7,12-dione, 3,4-dihydro-8-methoxy-3-methyl-, (.+-.)-
SpectraBase Compound ID L2W5aM6WD06
InChI InChI=1S/C20H16O3/c1-11-6-8-13-12(10-11)7-9-15-17(13)19(21)14-4-3-5-16(23-2)18(14)20(15)22/h3-9,11H,10H2,1-2H3
InChIKey VHYPSYHDNLKDFV-UHFFFAOYSA-N
Mol Weight 304.35 g/mol
Molecular Formula C20H16O3
Exact Mass 304.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ULIVZm806o
Name Benz[a]anthracene-7,12-dione, 3,4-dihydro-8-methoxy-3-methyl-, (.+-.)-
CAS Registry Number 111539-98-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O3
InChI InChI=1S/C20H16O3/c1-11-6-8-13-12(10-11)7-9-15-17(13)19(21)14-4-3-5-16(23-2)18(14)20(15)22/h3-9,11H,10H2,1-2H3
InChIKey VHYPSYHDNLKDFV-UHFFFAOYSA-N
Molecular Weight 304.345 g/mol
SMILES c12C(c3cccc(c3C(c2ccc2c1C=CC(C2)C)=O)OC)=O
SPLASH splash10-0udr-0079000000-23fcc75e2d7732fd3a6b
Source of Spectrum I-65-127-21
Synonyms 1-((2-hydroxycarbonyl-3-methoxy-phenyl)methyl)-6-methyl-5,6-dihydro-nathphalene 8-methoxy-3-methyl-3,4-dihydrobenzo[a]anthracene-7,12-dione
Wiley ID 1306783