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1,2a,3,4,4Ab, 5a,6,7,8,8ab-decahydro-1-(2,2,2-trichloro-ethoxy-carbonyl)-5-meomeoet-2-(5-oxo-3-pentenyl)-quinoline
SpectraBase Compound ID 8iYipsRIG2Y
InChI InChI=1S/C21H32Cl3NO5/c1-28-15-29-13-11-16-6-5-8-19-18(16)10-9-17(7-3-2-4-12-26)25(19)20(27)30-14-21(22,23)24/h2,4,12,16-19H,3,5-11,13-15H2,1H3/b4-2+
InChIKey LQKZEHDNYBYBKT-DUXPYHPUSA-N
Mol Weight 484.8 g/mol
Molecular Formula C21H32Cl3NO5
Exact Mass 483.134606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTlil57OgcC
Name 1,2a,3,4,4Ab, 5a,6,7,8,8ab-decahydro-1-(2,2,2-trichloro-ethoxy-carbonyl)-5-meomeoet-2-(5-oxo-3-pentenyl)-quinoline
CAS Registry Number 86197-18-4
Comments MEOMEOET : 2-METHOXYMETHOXY-ETHYL REASSIGNED (A.H.), SHIFT AT 96.4 PPM ELIMINATED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32Cl3NO5
InChI InChI=1S/C21H32Cl3NO5/c1-28-15-29-13-11-16-6-5-8-19-18(16)10-9-17(7-3-2-4-12-26)25(19)20(27)30-14-21(22,23)24/h2,4,12,16-19H,3,5-11,13-15H2,1H3/b4-2+
InChIKey LQKZEHDNYBYBKT-DUXPYHPUSA-N
Instrument Name Bruker WM-250
Literature Reference L.E. Overman, D. Lesuisse, M. Hashimoto, J. Am. Chem. Soc. 105, 5373 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3