| SpectraBase Spectrum ID |
7O9h4LpuOPD |
| Name |
3-[4-[2-[4-(3-Ethoxy-3-keto-propyl)phenyl]ethynyl]phenyl]propionic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.183109313 u |
| Formula |
C24H26O4 |
| InChI |
InChI=1S/C24H26O4/c1-3-27-23(25)17-15-21-11-7-19(8-12-21)5-6-20-9-13-22(14-10-20)16-18-24(26)28-4-2/h7-14H,3-4,15-18H2,1-2H3 |
| InChIKey |
JOZDHCOWMCTLDC-UHFFFAOYSA-N |
| Molecular Weight |
378.468 g/mol |
| SMILES |
C(#CC=1C=CC(=CC1)CCC(=O)OCC)C=1C=CC(=CC1)CCC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955357 |
![3-[4-[2-[4-(3-Ethoxy-3-keto-propyl)phenyl]ethynyl]phenyl]propionic acid ethyl ester](/api/spectrum/7O9h4LpuOPD/structure.png?h=300&w=458 "3-[4-[2-[4-(3-Ethoxy-3-keto-propyl)phenyl]ethynyl]phenyl]propionic acid ethyl ester")
