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2,2,3,3-Tetraphenyl-1,4-dithiane

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

2,2,3,3-Tetraphenyl-1,4-dithiane
SpectraBase Compound ID 9NHea1IFVug
InChI InChI=1S/C28H24S2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)28(30-22-21-29-27,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKey SSBQUKKRQQVYJC-UHFFFAOYSA-N
Mol Weight 424.62 g/mol
Molecular Formula C28H24S2
Exact Mass 424.131943 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K5q8eOePMKX
Name 2,2,3,3-Tetraphenyl-1,4-dithiane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.131943121 u
Formula C28H24S2
InChI InChI=1S/C28H24S2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)28(30-22-21-29-27,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
InChIKey SSBQUKKRQQVYJC-UHFFFAOYSA-N
Molecular Weight 424.620 g/mol
SMILES C1(C(SCCS1)(C1=CC=CC=C1)C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967204