| SpectraBase Spectrum ID |
9cv0SieyH6v |
| Name |
4-[3-(1-Cyano-2-ethoxy-2-keto-ethyl)hex-5-enyl]benzoic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.178358285 u |
| Formula |
C20H25NO4 |
| InChI |
InChI=1S/C20H25NO4/c1-4-7-16(18(14-21)20(23)25-6-3)11-8-15-9-12-17(13-10-15)19(22)24-5-2/h4,9-10,12-13,16,18H,1,5-8,11H2,2-3H3 |
| InChIKey |
CJRKDAUSHCKDAX-UHFFFAOYSA-N |
| Molecular Weight |
343.423 g/mol |
| SMILES |
C(C(=O)OCC)(C#N)C(CCC1=CC=C(C(=O)OCC)C=C1)CC=C |
![4-[3-(1-Cyano-2-ethoxy-2-keto-ethyl)hex-5-enyl]benzoic acid ethyl ester](/api/spectrum/9cv0SieyH6v/structure.png?h=300&w=458 "4-[3-(1-Cyano-2-ethoxy-2-keto-ethyl)hex-5-enyl]benzoic acid ethyl ester")
