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Octahydro-2-methoxy-8,8-dimethyl-pentaleno(1,6a-C)pyran-5(6H)-one isomer 1 (methoxy-configuration)
SpectraBase Compound ID SmkpYVRk8R
InChI InChI=1S/C14H22O3/c1-13(2)5-9-4-11(15)10-7-17-12(16-3)6-14(9,10)8-13/h9-10,12H,4-8H2,1-3H3
InChIKey VXWCNNGKLGPPTF-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hz7QwhJx0IE
Name Octahydro-2-methoxy-8,8-dimethyl-pentaleno(1,6a-C)pyran-5(6H)-one isomer 1 (methoxy-configuration)
CAS Registry Number 79732-65-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-13(2)5-9-4-11(15)10-7-17-12(16-3)6-14(9,10)8-13/h9-10,12H,4-8H2,1-3H3
InChIKey VXWCNNGKLGPPTF-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference D.E. Cane, P.J. Thomas, J. Am. Chem. Soc. 106, 5295 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3