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1-(4-methoxyphenyl)-4-(p-tolyl)-9H-thioxanthen-9-one
SpectraBase Compound ID FzStbkLNiz0
InChI InChI=1S/C27H20O2S/c1-17-7-9-19(10-8-17)22-16-15-21(18-11-13-20(29-2)14-12-18)25-26(28)23-5-3-4-6-24(23)30-27(22)25/h3-16H,1-2H3
InChIKey UTHCYOVMYHXXPF-UHFFFAOYSA-N
Mol Weight 408.52 g/mol
Molecular Formula C27H20O2S
Exact Mass 408.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoFLBkW9s1F
Name 1-(4-methoxyphenyl)-4-(p-tolyl)-9H-thioxanthen-9-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20O2S
InChI InChI=1S/C27H20O2S/c1-17-7-9-19(10-8-17)22-16-15-21(18-11-13-20(29-2)14-12-18)25-26(28)23-5-3-4-6-24(23)30-27(22)25/h3-16H,1-2H3
InChIKey UTHCYOVMYHXXPF-UHFFFAOYSA-N
Molecular Weight 408.515 g/mol
SMILES c12c(Sc3c(C2=O)cccc3)c(-c2ccc(C)cc2)ccc1-c1ccc(cc1)OC
SPLASH splash10-0a4i-0004900000-90242aad9731a9dce4b1
Source of Spectrum F-68-721-11a
Wiley ID 1707476