| SpectraBase Spectrum ID |
8KjKJa3LIGY |
| Name |
3-(2-Keto-7-methoxy-chromene-3-carbonyl)-5,7-dimethoxy-coumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.084517467 u |
| Formula |
C22H16O8 |
| InChI |
InChI=1S/C22H16O8/c1-26-12-5-4-11-6-15(21(24)29-17(11)7-12)20(23)16-10-14-18(28-3)8-13(27-2)9-19(14)30-22(16)25/h4-10H,1-3H3 |
| InChIKey |
VVWFQAZJYRJAJT-UHFFFAOYSA-N |
| Molecular Weight |
408.362 g/mol |
| SMILES |
C=1(C(C=2C(OC=3C(C2)=CC=C(OC)C3)=O)=O)C(OC=2C(C1)=C(C=C(OC)C2)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946824 |
