SpectraBase Spectrum ID |
5aPCtUg7kW1 |
Name |
4-[1-(2-Ethoxycarbonylqcetylamino)cyclohexylethynyl]benzoic acid methyl ester |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H25NO5 |
InChI |
InChI=1S/C21H25NO5/c1-3-27-19(24)15-18(23)22-21(12-5-4-6-13-21)14-11-16-7-9-17(10-8-16)20(25)26-2/h7-10H,3-6,12-13,15H2,1-2H3,(H,22,23) |
InChIKey |
FEQPDDPTAVCBRX-UHFFFAOYSA-N |
Molecular Weight |
371.433 g/mol |
SMILES |
N(C(CC(=O)OCC)=O)C1(C#Cc2ccc(C(=O)OC)cc2)CCCCC1 |
SPLASH |
splash10-03xr-0089000000-7a3b0d951ef865f06d9c |
Source of Spectrum |
F4-0-2028-4 |
Wiley ID |
1619929 |