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 |