(3b,4a,5B)-3-(Bis[methoxycarbonyl]-chloro-methoxy)-4-benzoyloxy-5-bromo-1-cyclohexene-1-carboxylic acid, methyl ester

SpectraBase Compound ID	JTgg29e7ZO4
InChI	InChI=1S/C20H20BrClO9/c1-27-16(23)12-9-13(21)15(30-17(24)11-7-5-4-6-8-11)14(10-12)31-20(22,18(25)28-2)19(26)29-3/h4-8,10,13-15H,9H2,1-3H3
InChIKey	FVYMIDOYLYZNNI-UHFFFAOYSA-N Google Search
Mol Weight	519.73 g/mol
Molecular Formula	C20H20BrClO9
Exact Mass	517.997923 g/mol

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SpectraBase Spectrum ID	IHR1McfYbXj
Name	(3b,4a,5B)-3-(Bis[methoxycarbonyl]-chloro-methoxy)-4-benzoyloxy-5-bromo-1-cyclohexene-1-carboxylic acid, methyl ester
CAS Registry Number	83604-12-0
Comments	reassigned
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C20H20BrClO9
InChI	InChI=1S/C20H20BrClO9/c1-27-16(23)12-9-13(21)15(30-17(24)11-7-5-4-6-8-11)14(10-12)31-20(22,18(25)28-2)19(26)29-3/h4-8,10,13-15H,9H2,1-3H3
InChIKey	FVYMIDOYLYZNNI-UHFFFAOYSA-N
Instrument Name	Bruker WM-250
Literature Reference	D.A. McGowan, G.A. Berchtold, J. Am. Chem. Soc. 104, 7036 (1982).
NMR Standard	TMS
Origin	Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent	CDCl3