| SpectraBase Spectrum ID |
AO41XdZpbLV |
| Name |
8-Carboxy-3-methylflavone, 2-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/c1-4-13(2)24-21(23)17-12-8-11-16-18(22)14(3)19(25-20(16)17)15-9-6-5-7-10-15/h5-13H,4H2,1-3H3 |
| InChIKey |
SGGVMHNYXLWXRX-UHFFFAOYSA-N |
| Molecular Weight |
336.387 g/mol |
| SMILES |
C1=CC=CC=C1C1=C(C)C(C2=C(C(=CC=C2)C(OC(CC)C)=O)O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913122 |
