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1-Benzyl-thianium cation
SpectraBase Compound ID Jnpq3S77ddX
InChI InChI=1S/C12H17S/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2/q+1
InChIKey XFNSNQZVKUODOR-UHFFFAOYSA-N
Mol Weight 193.33 g/mol
Molecular Formula C12H17S
Exact Mass 193.105097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KEoP2rP6sv
Name 1-Benzyl-thianium cation
CAS Registry Number 65199-34-0
Comments tetrafluoroborate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17S
InChI InChI=1S/C12H17S/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2/q+1
InChIKey XFNSNQZVKUODOR-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