| SpectraBase Compound ID | aoQFENdrQB |
|---|---|
| InChI | InChI=1S/C17H9NO4/c19-15-10-6-12-16(22-7-21-12)14-9-4-2-1-3-8(9)5-11(13(10)14)18-17(15)20/h1-6H,7H2,(H,18,20) |
| InChIKey | GHNBADVOMYBEJK-UHFFFAOYSA-N |
| Mol Weight | 291.26 g/mol |
| Molecular Formula | C17H9NO4 |
| Exact Mass | 291.053158 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G5edyTMSuZX |
|---|---|
| Name | nor-Cepharadione A |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.053157770 u |
| Formula | C17H9NO4 |
| InChI | InChI=1S/C17H9NO4/c19-15-10-6-12-16(22-7-21-12)14-9-4-2-1-3-8(9)5-11(13(10)14)18-17(15)20/h1-6H,7H2,(H,18,20) |
| InChIKey | GHNBADVOMYBEJK-UHFFFAOYSA-N |
| SMILES | C1=2C=3C(=C4C=CC=CC4=CC3NC(C1=O)=O)C1=C(C2)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930093 |