| SpectraBase Spectrum ID |
96drLAuK89B |
| Name |
(Z)-Ethyl 4-((4-ethoxy-4-oxobut-2-en-2-yl)oxy)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.115423675 u |
| Formula |
C15H18O5 |
| InChI |
InChI=1S/C15H18O5/c1-4-18-14(16)10-11(3)20-13-8-6-12(7-9-13)15(17)19-5-2/h6-10H,4-5H2,1-3H3/b11-10- |
| InChIKey |
UDZDVBGLFSQGAW-KHPPLWFESA-N |
| SMILES |
C=1(O\C(=C/C(OCC)=O)C)C=CC(=CC1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923054 |