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2,5-o-Phenylene-8,11-dithia-3,4-benzo(4.3.3)propellane

View entire compound with spectra: 1 NMR, and 1 FTIR

2,5-o-Phenylene-8,11-dithia-3,4-benzo(4.3.3)propellane
SpectraBase Compound ID H14VdGdyT7B
InChI InChI=1S/C20H18S2/c1-2-6-14-13(5-1)17-15-7-3-4-8-16(15)18(14)20-11-21-9-19(17,20)10-22-12-20/h1-8,17-18H,9-12H2/t17-,18+,19-,20+
InChIKey FQIFCKAUIWTCOO-FGYAAKKASA-N
Mol Weight 322.48 g/mol
Molecular Formula C20H18S2
Exact Mass 322.084993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Op5cCEdvbM
Name 2,5-O-Phenylene-8,11-dithia-3,4-benzo(4.3.3)propellane
CAS Registry Number 79482-99-8
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C20H18S2
InChI InChI=1S/C20H18S2/c1-2-6-14-13(5-1)17-15-7-3-4-8-16(15)18(14)20-11-21-9-19(17,20)10-22-12-20/h1-8,17-18H,9-12H2/t17-,18+,19-,20+
InChIKey FQIFCKAUIWTCOO-FGYAAKKASA-N
Literature Reference K. Weinges, P. Guenther, W. Kasel, Angew. Chem. 93, 1008 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3