| SpectraBase Spectrum ID |
GHSCfzFzLRJ |
| Name |
8-Carboxy-3-methylflavone, N-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.120509056 u |
| Formula |
C20H18O4 |
| InChI |
InChI=1S/C20H18O4/c1-3-12-23-20(22)16-11-7-10-15-17(21)13(2)18(24-19(15)16)14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3 |
| InChIKey |
PSQLIDMKCJJIDF-UHFFFAOYSA-N |
| Molecular Weight |
322.360 g/mol |
| SMILES |
C1=CC=CC=C1C1=C(C)C(C2=C(C(=CC=C2)C(OCCC)=O)O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913953 |
