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trans-2-Phenyl-3-tert-butyl-1,3-dithiane

View entire compound with spectra: 1 NMR

trans-2-Phenyl-3-tert-butyl-1,3-dithiane
SpectraBase Compound ID 3AQc9rq9EUR
InChI InChI=1S/C14H20S2/c1-14(2,3)12-9-15-13(16-10-12)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3/t12-,13-
InChIKey WKOBVGOPORZICQ-JOCQHMNTSA-N
Mol Weight 252.43 g/mol
Molecular Formula C14H20S2
Exact Mass 252.100643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I98OYNUXj0K
Name trans-2-Phenyl-3-tert-butyl-1,3-dithiane
CAS Registry Number 24347-95-3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C14H20S2
InChI InChI=1S/C14H20S2/c1-14(2,3)12-9-15-13(16-10-12)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3/t12-,13-
InChIKey WKOBVGOPORZICQ-JOCQHMNTSA-N
Instrument Name Varian XL-100
Literature Reference E.L. Eliel, V.S. Rao, F.G. Riddell, J. Am. Chem. Soc. 98, 3583 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3