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2,2,4-Trimethyl-1,3-dithiane

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2,2,4-Trimethyl-1,3-dithiane
SpectraBase Compound ID 3zMEzmB6Ial
InChI InChI=1S/C7H14S2/c1-6-4-5-8-7(2,3)9-6/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKey FRRBWOYAAOXUHL-ZCFIWIBFSA-N
Mol Weight 162.31 g/mol
Molecular Formula C7H14S2
Exact Mass 162.053693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID fYFN06lDXz
Name 2,2,4-Trimethyl-1,3-dithiane
CAS Registry Number 51288-07-4
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C7H14S2
InChI InChI=1S/C7H14S2/c1-6-4-5-8-7(2,3)9-6/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKey FRRBWOYAAOXUHL-ZCFIWIBFSA-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