| SpectraBase Spectrum ID |
F2aY7Qd9AmW |
| Name |
2-(4-Chlorophenyl)-4,5-diketo-furan-3-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.013851085 u |
| Formula |
C13H9ClO5 |
| InChI |
InChI=1S/C13H9ClO5/c1-2-18-12(16)9-10(15)13(17)19-11(9)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3 |
| InChIKey |
LHJRMGXRHDIUSA-UHFFFAOYSA-N |
| SMILES |
C1(=C(OC(C1=O)=O)C=1C=CC(=CC1)Cl)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868446 |
