For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,11,20,29-Tetrathia[3(4)](1,2)(1,4)(1,2)(1,4)cyclophane

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2,11,20,29-Tetrathia[3(4)](1,2)(1,4)(1,2)(1,4)cyclophane
SpectraBase Compound ID JSTEVN3ZWGI
InChI InChI=1S/C32H32S4/c1-2-26-4-3-25(1)17-33-19-27-5-7-29(8-6-27)21-35-23-31-13-15-32(16-14-31)24-36-22-30-11-9-28(10-12-30)20-34-18-26/h1-16H,17-24H2
InChIKey YLKBJKGUAZCICR-UHFFFAOYSA-N
Mol Weight 544.8 g/mol
Molecular Formula C32H32S4
Exact Mass 544.138686 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID D0gfsuqMYnV
Name 2,11,20,29-Tetrathia[3(4)](1,2)(1,4)(1,2)(1,4)cyclophane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.138685726 u
Formula C32H32S4
InChI InChI=1S/C32H32S4/c1-2-26-4-3-25(1)17-33-19-27-5-7-29(8-6-27)21-35-23-31-13-15-32(16-14-31)24-36-22-30-11-9-28(10-12-30)20-34-18-26/h1-16H,17-24H2
InChIKey YLKBJKGUAZCICR-UHFFFAOYSA-N
Molecular Weight 544.848 g/mol
SMILES C1SCC=2C=CC(CSCC=3C=CC(CSCC4=CC=C(CSCC5=CC=C1C=C5)C=C4)=CC3)=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940245