| SpectraBase Spectrum ID |
2QQUaKW8PQN |
| Name |
3-(5,7-Dihydroxy-2-keto-4-methyl-chromen-3-yl)propionic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.094688229 u |
| Formula |
C15H16O6 |
| InChI |
InChI=1S/C15H16O6/c1-3-20-13(18)5-4-10-8(2)14-11(17)6-9(16)7-12(14)21-15(10)19/h6-7,16-17H,3-5H2,1-2H3 |
| InChIKey |
WHVZMGHWQWXEAU-UHFFFAOYSA-N |
| Molecular Weight |
292.287 g/mol |
| SMILES |
C1(=C(C(=O)OC2=C1C(=CC(O)=C2)O)CCC(=O)OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843315 |
