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1,4-bis(4-fluorophenyl)-9H-thioxanthen-9-one
SpectraBase Compound ID EOHWYL7Ok5I
InChI InChI=1S/C25H14F2OS/c26-17-9-5-15(6-10-17)19-13-14-20(16-7-11-18(27)12-8-16)25-23(19)24(28)21-3-1-2-4-22(21)29-25/h1-14H
InChIKey AQYZTLKGUALYDJ-UHFFFAOYSA-N
Mol Weight 400.44 g/mol
Molecular Formula C25H14F2OS
Exact Mass 400.073343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPAYpLxOhzo
Name 1,4-bis(4-fluorophenyl)-9H-thioxanthen-9-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H14F2OS
InChI InChI=1S/C25H14F2OS/c26-17-9-5-15(6-10-17)19-13-14-20(16-7-11-18(27)12-8-16)25-23(19)24(28)21-3-1-2-4-22(21)29-25/h1-14H
InChIKey AQYZTLKGUALYDJ-UHFFFAOYSA-N
Molecular Weight 400.443 g/mol
SMILES c12c(Sc3c(C2=O)cccc3)c(-c2ccc(cc2)F)ccc1-c1ccc(cc1)F
SPLASH splash10-0f6t-0009600000-fc72f44474bc3c75f2e3
Source of Spectrum F-68-718-9f
Wiley ID 1715061