| SpectraBase Spectrum ID |
5NUQv6GqwWh |
| Name |
8-Carboxy-3-methylflavone, N-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.136159120 u |
| Formula |
C21H20O4 |
| InChI |
InChI=1S/C21H20O4/c1-3-4-13-24-21(23)17-12-8-11-16-18(22)14(2)19(25-20(16)17)15-9-6-5-7-10-15/h5-12H,3-4,13H2,1-2H3 |
| InChIKey |
OEYQQIYUBIKFBQ-UHFFFAOYSA-N |
| Molecular Weight |
336.387 g/mol |
| SMILES |
C1=CC=CC=C1C1=C(C)C(C2=C(C(=CC=C2)C(OCCCC)=O)O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852695 |
