| SpectraBase Spectrum ID |
6qZLsLwGa3f |
| Name |
4-[4-Cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-keto-pentyl]benzoic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.230787781 u |
| Formula |
C23H33NO6 |
| InChI |
InChI=1S/C23H33NO6/c1-5-27-21(28-6-2)15-19(20(16-24)23(26)30-8-4)14-11-17-9-12-18(13-10-17)22(25)29-7-3/h9-10,12-13,19-21H,5-8,11,14-15H2,1-4H3 |
| InChIKey |
MLXFSUHZEYHKQR-UHFFFAOYSA-N |
| Molecular Weight |
419.518 g/mol |
| SMILES |
C(C(=O)OCC)(C#N)C(CC(OCC)OCC)CCC=1C=CC(C(=O)OCC)=CC1 |
![4-[4-Cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-keto-pentyl]benzoic acid ethyl ester](/api/spectrum/6qZLsLwGa3f/structure.png?h=300&w=458 "4-[4-Cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-keto-pentyl]benzoic acid ethyl ester")
