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(E)-9-Benzenesulfonyl-9-carbomethoxy-13-hydroxy-6-tridecenoic lactone

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(E)-9-Benzenesulfonyl-9-carbomethoxy-13-hydroxy-6-tridecenoic lactone
SpectraBase Compound ID 8NtwhijqbOJ
InChI InChI=1S/C21H28O6S/c1-26-20(23)21(28(24,25)18-12-6-5-7-13-18)15-9-4-2-3-8-14-19(22)27-17-11-10-16-21/h4-7,9,12-13H,2-3,8,10-11,14-17H2,1H3/b9-4+
InChIKey HLYODUMOASBTCO-RUDMXATFSA-N
Mol Weight 408.51 g/mol
Molecular Formula C21H28O6S
Exact Mass 408.16066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3EmRzqRtinI
Name (E)-9-Benzenesulfonyl-9-carbomethoxy-13-hydroxy-6-tridecenoic lactone
CAS Registry Number 63294-79-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H28O6S
InChI InChI=1S/C21H28O6S/c1-26-20(23)21(28(24,25)18-12-6-5-7-13-18)15-9-4-2-3-8-14-19(22)27-17-11-10-16-21/h4-7,9,12-13H,2-3,8,10-11,14-17H2,1H3/b9-4+
InChIKey HLYODUMOASBTCO-RUDMXATFSA-N
Instrument Name Jeol FX-60
Literature Reference B.M. Trost, T.R. Verhoeven, J. Am. Chem. Soc. 102, 4743 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3