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

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cis-1-Methyl-4-tert-butyl-thianium cation
SpectraBase Compound ID JTpxfBJeWa2
InChI InChI=1S/C10H21S/c1-10(2,3)9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3/q+1
InChIKey VNAQYKXTYBSNRE-UHFFFAOYSA-N
Mol Weight 173.34 g/mol
Molecular Formula C10H21S
Exact Mass 173.136397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fl7EGHFWxlG
Name trans-1-Methyl-4-tert-butyl-thianium cation
Comments perchlorate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H21S
InChI InChI=1S/C10H21S/c1-10(2,3)9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3/q+1
InChIKey VNAQYKXTYBSNRE-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