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2-Ethyl-thiopyran-4-one-2,3-butanediole-ketale
SpectraBase Compound ID KNpFWqyVN2O
InChI InChI=1S/C11H20O2S/c1-4-10-7-11(5-6-14-10)12-8(2)9(3)13-11/h8-10H,4-7H2,1-3H3
InChIKey GAFIKPNTAAHPIO-UHFFFAOYSA-N
Mol Weight 216.34 g/mol
Molecular Formula C11H20O2S
Exact Mass 216.118401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DLXJtiRhaPh
Name 2-Ethyl-thiopyran-4-one-2,3-butanediole-ketale
CAS Registry Number 71772-87-7
Comments ENANTIOMER 1 PPM VALUES MIGHT BE INTERCHANGED BETWEEN BOTH ENANTIOMERS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H20O2S
InChI InChI=1S/C11H20O2S/c1-4-10-7-11(5-6-14-10)12-8(2)9(3)13-11/h8-10H,4-7H2,1-3H3
InChIKey GAFIKPNTAAHPIO-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference J. Davies, J.B. Jones, J. Am. Chem. Soc. 101, 5405 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3