| SpectraBase Spectrum ID |
HSxT49QXBce |
| Name |
8-Carboxy-3-methylflavone, 2-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.151809184 u |
| Formula |
C22H22O4 |
| InChI |
InChI=1S/C22H22O4/c1-4-14(2)13-25-22(24)18-12-8-11-17-19(23)15(3)20(26-21(17)18)16-9-6-5-7-10-16/h5-12,14H,4,13H2,1-3H3 |
| InChIKey |
MUZVBRFKXWROOA-UHFFFAOYSA-N |
| Molecular Weight |
350.414 g/mol |
| SMILES |
C1=CC=CC=C1C1=C(C)C(C2=C(C(=CC=C2)C(OCC(CC)C)=O)O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85961 |
