For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Methyl-1-thiopyran-4-one-2,3-butanediole-ketale
SpectraBase Compound ID 6IWsIEVkVwl
InChI InChI=1S/C10H18O2S/c1-7-6-10(4-5-13-7)11-8(2)9(3)12-10/h7-9H,4-6H2,1-3H3
InChIKey JXKDROASJLMQLP-UHFFFAOYSA-N
Mol Weight 202.31 g/mol
Molecular Formula C10H18O2S
Exact Mass 202.102751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JrlUpdnbMWP
Name 2-Methyl-1-thiopyran-4-one-2,3-butanediole-ketale
CAS Registry Number 71772-86-6
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 C10H18O2S
InChI InChI=1S/C10H18O2S/c1-7-6-10(4-5-13-7)11-8(2)9(3)12-10/h7-9H,4-6H2,1-3H3
InChIKey JXKDROASJLMQLP-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