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4-Allyl-2,3,3a,4,5,6-hexahydro-5,5-dimethyl-2-oxo-1-pentalenecarboxylic acid, ethyl ester
SpectraBase Compound ID 6EpkHModedy
InChI InChI=1S/C16H22O3/c1-5-7-12-10-8-13(17)14(15(18)19-6-2)11(10)9-16(12,3)4/h5,10,12H,1,6-9H2,2-4H3
InChIKey SJZGWIDJMIFEBR-UHFFFAOYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1BdpxXjeZv0
Name 4-Allyl-2,3,3a,4,5,6-hexahydro-5,5-dimethyl-2-oxo-1-pentalenecarboxylic acid, ethyl ester
CAS Registry Number 78217-43-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-5-7-12-10-8-13(17)14(15(18)19-6-2)11(10)9-16(12,3)4/h5,10,12H,1,6-9H2,2-4H3
InChIKey SJZGWIDJMIFEBR-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference L.A. Paquette, G.D. Anis, H. Schostarez, J. Am. Chem. Soc. 104, 6646 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3