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3,3,4,6-Tetraphenyl-2-(diphenylmethylene)-3,4-dihydro-2H-thiopyran

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

3,3,4,6-Tetraphenyl-2-(diphenylmethylene)-3,4-dihydro-2H-thiopyran
SpectraBase Compound ID CPCqUEucCfk
InChI InChI=1S/C42H32S/c1-7-19-32(20-8-1)38-31-39(33-21-9-2-10-22-33)43-41(40(34-23-11-3-12-24-34)35-25-13-4-14-26-35)42(38,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-31,38H
InChIKey MNSBAVLAYOKYFO-UHFFFAOYSA-N
Mol Weight 568.8 g/mol
Molecular Formula C42H32S
Exact Mass 568.222472 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6Ii6p1l0HTg
Name 3,3,4,6-Tetraphenyl-2-(diphenylmethylene)-3,4-dihydro-2H-thiopyran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.222472204 u
Formula C42H32S
InChI InChI=1S/C42H32S/c1-7-19-32(20-8-1)38-31-39(33-21-9-2-10-22-33)43-41(40(34-23-11-3-12-24-34)35-25-13-4-14-26-35)42(38,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-31,38H
InChIKey MNSBAVLAYOKYFO-UHFFFAOYSA-N
Molecular Weight 568.778 g/mol
SMILES C1(C(C(C=2C=CC=CC2)C=C(S1)C1=CC=CC=C1)(C1=CC=CC=C1)C=1C=CC=CC1)=C(C1=CC=CC=C1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967609