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(2S,7S,8S)-7-Chloro-8-(2-oxo-ethyl)-3,6,7,8-tetrahydro-2-(1-propenyl)-2H-oxocin

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(2S,7S,8S)-7-Chloro-8-(2-oxo-ethyl)-3,6,7,8-tetrahydro-2-(1-propenyl)-2H-oxocin
SpectraBase Compound ID A5qsAPoujjT
InChI InChI=1S/C12H17ClO2/c1-2-5-10-6-3-4-7-11(13)12(15-10)8-9-14/h2-5,9-12H,6-8H2,1H3/b4-3-,5-2+
InChIKey ZKKIRHSDPJVPLJ-YMDHRIDOSA-N
Mol Weight 228.72 g/mol
Molecular Formula C12H17ClO2
Exact Mass 228.091707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYEAkCQG7sA
Name (2S,7S,8S)-7-Chloro-8-(2-oxo-ethyl)-3,6,7,8-tetrahydro-2-(1-propenyl)-2H-oxocin
CAS Registry Number 112793-82-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17ClO2
InChI InChI=1S/C12H17ClO2/c1-2-5-10-6-3-4-7-11(13)12(15-10)8-9-14/h2-5,9-12H,6-8H2,1H3/b4-3-,5-2+
InChIKey ZKKIRHSDPJVPLJ-YMDHRIDOSA-N
Literature Reference L.E. Overman, A.S. Thompson, J. Am. Chem. Soc. 110, 2248 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3