| SpectraBase Spectrum ID |
LMnxkGnTw9 |
| Name |
5,7-Dihydroxy-3-(p-methoxy)-4-oxo-4H-1-benzopyran-2-carboxylic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.089602848 u |
| Formula |
C19H16O7 |
| InChI |
InChI=1S/C19H16O7/c1-3-25-19(23)18-15(10-4-6-12(24-2)7-5-10)17(22)16-13(21)8-11(20)9-14(16)26-18/h4-9,20-21H,3H2,1-2H3 |
| InChIKey |
WIXLQXLEPYJDRJ-UHFFFAOYSA-N |
| Molecular Weight |
356.330 g/mol |
| SMILES |
OC1=CC=2OC(=C(C(C2C(=C1)O)=O)C=1C=CC(=CC1)OC)C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.944906 |
