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2-Acetoxy-4-carbomethoxy-1-(4'-methoxy-phenylthio)-4-methyl-1-cyclohexene
SpectraBase Compound ID 6N2SmdSLieD
InChI InChI=1S/C18H22O5S/c1-12(19)23-15-11-18(2,17(20)22-4)10-9-16(15)24-14-7-5-13(21-3)6-8-14/h5-8H,9-11H2,1-4H3
InChIKey CELKTSKWAJXUQN-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C18H22O5S
Exact Mass 350.118795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVOrHsnJwVb
Name 2-Acetoxy-4-carbomethoxy-1-(4'-methoxy-phenylthio)-4-methyl-1-cyclohexene
CAS Registry Number 65173-90-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H22O5S
InChI InChI=1S/C18H22O5S/c1-12(19)23-15-11-18(2,17(20)22-4)10-9-16(15)24-14-7-5-13(21-3)6-8-14/h5-8H,9-11H2,1-4H3
InChIKey CELKTSKWAJXUQN-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference B.M. Trost, W.C. Vladuchick, A.J. Bridges, J. Am. Chem. Soc. 102, 3554 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3