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7,12-Epidioxy-7,12-dimethylbenz(a) anthracene
SpectraBase Compound ID 42XRT4s589T
InChI InChI=1S/C20H16O2/c1-19-15-9-5-6-10-16(15)20(2,22-21-19)18-14-8-4-3-7-13(14)11-12-17(18)19/h3-12H,1-2H3
InChIKey PSJYCCGJXUIOCS-UHFFFAOYSA-N
Mol Weight 288.35 g/mol
Molecular Formula C20H16O2
Exact Mass 288.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErRig60jEo
Name 7,12-Epidioxy-7,12-dimethylbenz(a) anthracene
CAS Registry Number 2518-01-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O2
InChI InChI=1S/C20H16O2/c1-19-15-9-5-6-10-16(15)20(2,22-21-19)18-14-8-4-3-7-13(14)11-12-17(18)19/h3-12H,1-2H3
InChIKey PSJYCCGJXUIOCS-UHFFFAOYSA-N
Molecular Weight 288.346 g/mol
SMILES C12(c3c(ccc4c3cccc4)C(c3c2cccc3)(C)OO1)C
SPLASH splash10-0a4i-0090000000-3674c62cba4074c92497
Source of Spectrum W5-1989-8396-1
Synonyms 7,12-Epidioxybenz(a)anthracene, 7,12-dihydro-7,12-dimethyl- DMBA endoperoxide
Wiley ID 1292152