(-)-[alphaS-2-oxocyclohexyl)benzyl]malonic acid, dimethyl ester

SpectraBase Compound ID	Lgn5IXzTA2w
InChI	InChI=1S/C18H22O5/c1-22-17(20)16(18(21)23-2)15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)19/h3-5,8-9,13,15-16H,6-7,10-11H2,1-2H3
InChIKey	ZMWVSJFPBZSFFZ-UHFFFAOYSA-N Google Search
Mol Weight	318.37 g/mol
Molecular Formula	C18H22O5
Exact Mass	318.146724 g/mol

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SpectraBase Spectrum ID	95dmf8onSX2
Name	(-)-[alpha-(1S-2-OXOCYCLOHEXYL)BENZYO]MALONIC ACID, DIMETHYL ESTER
Source of Sample	D. Seebach, Eth Zurich, Zurich, Switzerland
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H22O5
InChI	InChI=1S/C18H22O5/c1-22-17(20)16(18(21)23-2)15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)19/h3-5,8-9,13,15-16H,6-7,10-11H2,1-2H3
InChIKey	ZMWVSJFPBZSFFZ-UHFFFAOYSA-N
Literature Reference	CHEM. BER. 116, 2250(1983) Abstract-Chemical Abstracts= 99, 69822F(1983)
Melting Point	88-90C
Molecular Weight	318.368988
Optical Properties	Optical Rotation= (20C) -59.1 DEG (c=1, CHLOROFORM)
Synonyms	MALONIC ACID, /AS-/1S-2-OXOCYCLO- HEXYL/BENZYL/-, DIMETHYL ESTER, /MINUS/-,
Technique	FILM (CAST FROM CHCl3)