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1,4-bis(4-methoxyphenyl)-9H-thioxanthen-9-one
SpectraBase Compound ID 6NBnDXWRYJC
InChI InChI=1S/C27H20O3S/c1-29-19-11-7-17(8-12-19)21-15-16-22(18-9-13-20(30-2)14-10-18)27-25(21)26(28)23-5-3-4-6-24(23)31-27/h3-16H,1-2H3
InChIKey RQOYPIYPPRHTFF-UHFFFAOYSA-N
Mol Weight 424.51 g/mol
Molecular Formula C27H20O3S
Exact Mass 424.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0Cl4RvLE8s
Name 1,4-bis(4-methoxyphenyl)-9H-thioxanthen-9-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20O3S
InChI InChI=1S/C27H20O3S/c1-29-19-11-7-17(8-12-19)21-15-16-22(18-9-13-20(30-2)14-10-18)27-25(21)26(28)23-5-3-4-6-24(23)31-27/h3-16H,1-2H3
InChIKey RQOYPIYPPRHTFF-UHFFFAOYSA-N
Molecular Weight 424.514 g/mol
SMILES c12c(Sc3c(C2=O)cccc3)c(-c2ccc(cc2)OC)ccc1-c1ccc(cc1)OC
SPLASH splash10-00di-0000900000-e5cab4090c0b527f0015
Source of Spectrum F-68-718-9d
Wiley ID 1707487