| SpectraBase Compound ID | AzE6vlh7T1 |
|---|---|
| InChI | InChI=1S/C18H16O5/c1-20-13-7-5-4-6-11(13)16-10-12(19)17-14(23-16)8-9-15(21-2)18(17)22-3/h4-10H,1-3H3 |
| InChIKey | IQWXFMQSQNSHKI-UHFFFAOYSA-N |
| Mol Weight | 312.32 g/mol |
| Molecular Formula | C18H16O5 |
| Exact Mass | 312.099774 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BVUjSWXF3Tf |
|---|---|
| Name | 2',5,6-Trimethoxyflavone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.099773610 u |
| Formula | C18H16O5 |
| InChI | InChI=1S/C18H16O5/c1-20-13-7-5-4-6-11(13)16-10-12(19)17-14(23-16)8-9-15(21-2)18(17)22-3/h4-10H,1-3H3 |
| InChIKey | IQWXFMQSQNSHKI-UHFFFAOYSA-N |
| SMILES | C1=C(C(=C2C(C=C(OC2=C1)C1=CC=CC=C1OC)=O)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92222 |