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3-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)-9H-thioxanthen-9-one
SpectraBase Compound ID 8FXwXhZCqEA
InChI InChI=1S/C27H19ClO3S/c1-30-22-12-9-17(14-23(22)31-2)21-13-18(16-7-10-19(28)11-8-16)15-25-26(21)27(29)20-5-3-4-6-24(20)32-25/h3-15H,1-2H3
InChIKey ONDXEMFZVOTCIV-UHFFFAOYSA-N
Mol Weight 458.96 g/mol
Molecular Formula C27H19ClO3S
Exact Mass 458.074343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fVS1GTrzox
Name 3-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)-9H-thioxanthen-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19ClO3S
InChI InChI=1S/C27H19ClO3S/c1-30-22-12-9-17(14-23(22)31-2)21-13-18(16-7-10-19(28)11-8-16)15-25-26(21)27(29)20-5-3-4-6-24(20)32-25/h3-15H,1-2H3
InChIKey ONDXEMFZVOTCIV-UHFFFAOYSA-N
Molecular Weight 458.959 g/mol
SMILES c12C(c3ccccc3Sc2cc(-c2ccc(cc2)Cl)cc1-c1cc(OC)c(cc1)OC)=O
SPLASH splash10-0a4i-0000900000-808799e342bee1838002
Source of Spectrum F-68-717-6c
Synonyms 3-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)-9-thioxanthenone
Wiley ID 1707493