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2-Phenylthio-9,10-dimethoxy-1,4-anthraquinone
SpectraBase Compound ID BHM3J2nY3xz
InChI InChI=1S/C22H16O4S/c1-25-21-14-10-6-7-11-15(14)22(26-2)19-18(21)16(23)12-17(20(19)24)27-13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKey QLNQVIVZCSLKRO-UHFFFAOYSA-N
Mol Weight 376.43 g/mol
Molecular Formula C22H16O4S
Exact Mass 376.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDGPQSrmL4j
Name 2-Phenylthio-9,10-dimethoxy-1,4-anthraquinone
Comments Less than 3 mono-isotopic peaks
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Formula C22H16O4S
InChI InChI=1S/C22H16O4S/c1-25-21-14-10-6-7-11-15(14)22(26-2)19-18(21)16(23)12-17(20(19)24)27-13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKey QLNQVIVZCSLKRO-UHFFFAOYSA-N
Molecular Weight 376.426 g/mol
SMILES c12c(c(OC)c3c(c2OC)cccc3)C(=O)C(=CC1=O)Sc1ccccc1
SPLASH splash10-004i-0009000000-5174d54a1b847815a321
Source of Spectrum F-53-1838-42
Synonyms 9,10-dimethoxy-2-(phenylsulfanyl)-1,4-anthracenedione
Wiley ID 800419