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2,14-Dithia[5.4]paracyclophane

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

2,14-Dithia[5.4]paracyclophane
SpectraBase Compound ID 5USDp8FhcOw
InChI InChI=1S/C19H22S2/c1-2-16-3-5-17(6-4-16)11-13-21-15-19-9-7-18(8-10-19)14-20-12-1/h3-10H,1-2,11-15H2
InChIKey ZFKKQQAQZCUBBL-UHFFFAOYSA-N
Mol Weight 314.51 g/mol
Molecular Formula C19H22S2
Exact Mass 314.116293 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HenAYEiW2PU
Name 2,14-Dithia[5.4]paracyclophane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.116293056 u
Formula C19H22S2
InChI InChI=1S/C19H22S2/c1-2-16-3-5-17(6-4-16)11-13-21-15-19-9-7-18(8-10-19)14-20-12-1/h3-10H,1-2,11-15H2
InChIKey ZFKKQQAQZCUBBL-UHFFFAOYSA-N
Molecular Weight 314.505 g/mol
SMILES C1SCCC2=CC=C(CCCSCC=3C=CC1=CC3)C=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862756