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1,4-bis(p-tolyl)-9H-thioxanthen-9-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1,4-bis(p-tolyl)-9H-thioxanthen-9-one
SpectraBase Compound ID 36fAdMZdtR3
InChI InChI=1S/C27H20OS/c1-17-7-11-19(12-8-17)21-15-16-22(20-13-9-18(2)10-14-20)27-25(21)26(28)23-5-3-4-6-24(23)29-27/h3-16H,1-2H3
InChIKey YNIJDQQBXOQAEW-UHFFFAOYSA-N
Mol Weight 392.52 g/mol
Molecular Formula C27H20OS
Exact Mass 392.123486 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7JCgXcRxkzz
Name 1,4-bis(p-Tolyl)-9H-thioxanthen-9-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.123486437 u
Formula C27H20OS
InChI InChI=1S/C27H20OS/c1-17-7-11-19(12-8-17)21-15-16-22(20-13-9-18(2)10-14-20)27-25(21)26(28)23-5-3-4-6-24(23)29-27/h3-16H,1-2H3
InChIKey YNIJDQQBXOQAEW-UHFFFAOYSA-N
Molecular Weight 392.516 g/mol
SMILES C12=C(SC=3C(C2=O)=CC=CC3)C(C2=CC=C(C=C2)C)=CC=C1C1=CC=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938498