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(2S,7S,8S)-7-Chloro-3,6,7,8-tetrahydro-2-(3-oxo-1-propenyl)-8-([4-tolylsulfonyloxy]-methyl)-2H-oxocin

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(2S,7S,8S)-7-Chloro-3,6,7,8-tetrahydro-2-(3-oxo-1-propenyl)-8-([4-tolylsulfonyloxy]-methyl)-2H-oxocin
SpectraBase Compound ID 931lhel4hcE
InChI InChI=1S/C18H21ClO5S/c1-14-8-10-16(11-9-14)25(21,22)23-13-18-17(19)7-3-2-5-15(24-18)6-4-12-20/h2-4,6,8-12,15,17-18H,5,7,13H2,1H3/b3-2-,6-4+
InChIKey NQIDWAYPALYHEH-MGLVMYNNSA-N
Mol Weight 384.87 g/mol
Molecular Formula C18H21ClO5S
Exact Mass 384.079823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIP6QMFTq7t
Name (2S,7S,8S)-7-Chloro-3,6,7,8-tetrahydro-2-(3-oxo-1-propenyl)-8-([4-tolylsulfonyloxy]-methyl)-2H-oxocin
CAS Registry Number 112793-79-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H21ClO5S
InChI InChI=1S/C18H21ClO5S/c1-14-8-10-16(11-9-14)25(21,22)23-13-18-17(19)7-3-2-5-15(24-18)6-4-12-20/h2-4,6,8-12,15,17-18H,5,7,13H2,1H3/b3-2-,6-4+
InChIKey NQIDWAYPALYHEH-MGLVMYNNSA-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