Ethyl 1-Cyano-12-hydroxybicyclo[10.4.0]hexadecane-13-carboxylate

SpectraBase Compound ID	KqJbxaHOoOx
InChI	InChI=1S/C20H33NO3/c1-2-24-18(22)17-12-11-14-19(16-21)13-9-7-5-3-4-6-8-10-15-20(17,19)23/h17,23H,2-15H2,1H3
InChIKey	CNASSJBXUHLVBV-UHFFFAOYSA-N Google Search
Mol Weight	335.5 g/mol
Molecular Formula	C20H33NO3
Exact Mass	335.246044 g/mol

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SpectraBase Spectrum ID	18MzPlCXId1
Name	1-Benzocyclododecenecarboxylic acid, 4a-cyanohexadecahydro-14a-hydroxy-, ethyl ester
Alternate Name(s)	Ethyl 1-cyano-12-hydroxybicyclo[10.4.0]hexadecane-13-carboxylate Ethyl 4a-cyano-14a-hydroxyhexadecahydrobenzo[a]cyclododecene-1-carboxylate
CAS Registry Number	104890-88-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H33NO3
InChI	InChI=1S/C20H33NO3/c1-2-24-18(22)17-12-11-14-19(16-21)13-9-7-5-3-4-6-8-10-15-20(17,19)23/h17,23H,2-15H2,1H3
InChIKey	CNASSJBXUHLVBV-UHFFFAOYSA-N
Molecular Weight	335.488 g/mol
SMILES	OC12C(C(=O)OCC)CCCC2(C#N)CCCCCCCCCC1
SPLASH	splash10-0apm-9310000000-cc31740263f7d2b46fad
Source of Spectrum	H-68-1996-0
Wiley ID	1331785