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cis-1-Benzyl-4-tert-butyl-thianium cation

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cis-1-Benzyl-4-tert-butyl-thianium cation
SpectraBase Compound ID LMn1ZSNutwV
InChI InChI=1S/C16H25S/c1-16(2,3)15-9-11-17(12-10-15)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3/q+1
InChIKey GVQCGQSYMQMLDQ-UHFFFAOYSA-N
Mol Weight 249.44 g/mol
Molecular Formula C16H25S
Exact Mass 249.167697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IuIHqMwCtef
Name trans-1-Benzyl-4-tert-butyl-thianium cation
Comments tetrafluoroborate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H25S
InChI InChI=1S/C16H25S/c1-16(2,3)15-9-11-17(12-10-15)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3/q+1
InChIKey GVQCGQSYMQMLDQ-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