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cis-5-Dimethylthioniumethyl-2-isopropyl-1,3-dioxane
SpectraBase Compound ID L6L9s5tsbXS
InChI InChI=1S/C11H23O2S/c1-9(2)11-12-7-10(8-13-11)5-6-14(3)4/h9-11H,5-8H2,1-4H3/q+1
InChIKey FKNRZGRUHUCIID-UHFFFAOYSA-N
Mol Weight 219.36 g/mol
Molecular Formula C11H23O2S
Exact Mass 219.141876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CD0PQXshOpN
Name trans-5-Dimethylthioniumethyl-2-isopropyl-1,3-dioxane
CAS Registry Number 61523-17-9
Comments HEXAFLUOROPHOSPHINATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H23O2S
InChI InChI=1S/C11H23O2S/c1-9(2)11-12-7-10(8-13-11)5-6-14(3)4/h9-11H,5-8H2,1-4H3/q+1
InChIKey FKNRZGRUHUCIID-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference E.L. Eliel, D. Kandasamy, R.C. Sechrest, J. Org. Chem. 42, 1533 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3CN