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1,4-bis(4-(tert-butyl)phenyl)-9H-thioxanthen-9-one

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

1,4-bis(4-(tert-butyl)phenyl)-9H-thioxanthen-9-one
SpectraBase Compound ID 9kQnn8pAaKm
InChI InChI=1S/C33H32OS/c1-32(2,3)23-15-11-21(12-16-23)25-19-20-26(22-13-17-24(18-14-22)33(4,5)6)31-29(25)30(34)27-9-7-8-10-28(27)35-31/h7-20H,1-6H3
InChIKey HSKDQFMKTWHTIQ-UHFFFAOYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C33H32OS
Exact Mass 476.217387 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CeP48HdS4LF
Name 1,4-bis(4-(Tert-butyl)phenyl)-9H-thioxanthen-9-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.217386823 u
Formula C33H32OS
InChI InChI=1S/C33H32OS/c1-32(2,3)23-15-11-21(12-16-23)25-19-20-26(22-13-17-24(18-14-22)33(4,5)6)31-29(25)30(34)27-9-7-8-10-28(27)35-31/h7-20H,1-6H3
InChIKey HSKDQFMKTWHTIQ-UHFFFAOYSA-N
Molecular Weight 476.678 g/mol
SMILES C12=C(SC=3C(C2=O)=CC=CC3)C(C2=CC=C(C(C)(C)C)C=C2)=CC=C1C1=CC=C(C(C)(C)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870184