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1-Benzyl-cis-2,cis-6-dimethylthianium cation

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1-Benzyl-cis-2,cis-6-dimethylthianium cation
SpectraBase Compound ID 5BqI1oKsfyg
InChI InChI=1S/C14H21S/c1-12-7-6-8-13(2)15(12)11-14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3/q+1
InChIKey HBLNKCPQHVEPRT-UHFFFAOYSA-N
Mol Weight 221.38 g/mol
Molecular Formula C14H21S
Exact Mass 221.136397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C79dHzNqDIB
Name 1-Benzyl-trans-2,trans-6-dimethyl-thianium cation
Comments tetrafluoroborate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H21S
InChI InChI=1S/C14H21S/c1-12-7-6-8-13(2)15(12)11-14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3/q+1
InChIKey HBLNKCPQHVEPRT-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference R.L. Willer, E.L. Eliel, Org. Magn. Resonance 9, 285 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3CN