| SpectraBase Spectrum ID |
IR9nT52QG3D |
| Name |
2-Keto-5-phenyl-3H-furan-4-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.073558862 u |
| Formula |
C13H12O4 |
| InChI |
InChI=1S/C13H12O4/c1-2-16-13(15)10-8-11(14)17-12(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey |
AYEKGWOQVRKDDT-UHFFFAOYSA-N |
| Molecular Weight |
232.235 g/mol |
| SMILES |
C1(=C(OC(C1)=O)C1=CC=CC=C1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855044 |
