| SpectraBase Compound ID | 8S2lYEGos4N |
|---|---|
| InChI | InChI=1S/C18H16O5/c1-20-11-8-15(21-2)17(16(9-11)22-3)13-10-23-14-7-5-4-6-12(14)18(13)19/h4-10H,1-3H3 |
| InChIKey | SNPNDKGYBYMIFG-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 | HzlbPLWRjF9 |
|---|---|
| Name | 2',4',6'-Trimethoxyisoflavone |
| 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/c1-20-11-8-15(21-2)17(16(9-11)22-3)13-10-23-14-7-5-4-6-12(14)18(13)19/h4-10H,1-3H3 |
| InChIKey | SNPNDKGYBYMIFG-UHFFFAOYSA-N |
| SMILES | C=1OC2=CC=CC=C2C(C1C1=C(OC)C=C(OC)C=C1OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936813 |