cis-4-[p-(1-carboxyethyl)anilino]cyclohexanecarboxylic acid, 4-ethyl methyl ester, oxalate (1:1) (salt)

SpectraBase Compound ID	DocQLp4dSe2
InChI	InChI=1S/C19H27NO4.C2H2O4/c1-4-24-18(21)13(2)14-5-9-16(10-6-14)20-17-11-7-15(8-12-17)19(22)23-3;3-1(4)2(5)6/h5-6,9-10,13,15,17,20H,4,7-8,11-12H2,1-3H3;(H,3,4)(H,5,6)/t13?,15-,17+;
InChIKey	OEBFYRIXZYBCMD-NRSMKZNISA-N Google Search
Mol Weight	423.46 g/mol
Molecular Formula	C21H29NO8
Exact Mass	423.189317 g/mol

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SpectraBase Spectrum ID	68DFs8FcLMm
Name	cis-4-[p-(1-CARBOXYETHYL)ANILINO]CYCLOHEXANECARBOXYLIC ACID, 4-ETHYL METHYL ESTER, OXALATE (1:1) (SALT)
Source of Sample	M. Riva, Maggioni Pharmaceutical S.p.A., Milan, Italy
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H29NO8
InChI	InChI=1S/C19H27NO4.C2H2O4/c1-4-24-18(21)13(2)14-5-9-16(10-6-14)20-17-11-7-15(8-12-17)19(22)23-3;3-1(4)2(5)6/h5-6,9-10,13,15,17,20H,4,7-8,11-12H2,1-3H3;(H,3,4)(H,5,6)/t13?,15-,17+;
InChIKey	OEBFYRIXZYBCMD-NRSMKZNISA-N
Literature Reference	FARM., ED. SCI. 39, 1024(1984) Abstract-Chemical Abstracts= 102, 197808Y(1985)
Melting Point	131-133C
Molecular Weight	423.462006
Synonyms	CYCLOHEXANECARBOXYLIC ACID, 4-/P-/1-CARBOXYETHYL/ANILINO/-, 4-ETHYL METHYL ESTER, OXALATE /1 TO 1/ /SALT/, CIS-, CYCLOHEXANECARBOXYLIC ACID, 4-/P-/1-CARBOXYETHYL/ANILINO/-, 4-ETHYL METHYL ESTER, OXALATE /1 TO 1/ /SALT/, CIS-,
Technique	KBr WAFER