| SpectraBase Spectrum ID |
HfqIBc5nKGO |
| Name |
Benzofuran-6-ol-3-one, 2-(4-ethoxycarbonyl)benzylidene- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.084123546 u |
| Formula |
C18H14O5 |
| InChI |
InChI=1S/C18H14O5/c1-2-22-18(21)12-5-3-11(4-6-12)9-16-17(20)14-8-7-13(19)10-15(14)23-16/h3-10,19H,2H2,1H3/b16-9- |
| InChIKey |
XTPVQBHTTNMVQI-SXGWCWSVSA-N |
| Molecular Weight |
310.305 g/mol |
| SMILES |
C1=C(C=CC2=C1O\C(C2=O)=C\C1=CC=C(C=C1)C(OCC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899025 |
