| SpectraBase Compound ID | 8gAWkhxvdCZ |
|---|---|
| InChI | InChI=1S/C17H12O5/c1-9-15(20)11(8-18)17-14(16(9)21)12(19)7-13(22-17)10-5-3-2-4-6-10/h2-8,20-21H,1H3 |
| InChIKey | TXZFBUWNWNHMCS-UHFFFAOYSA-N |
| Mol Weight | 296.28 g/mol |
| Molecular Formula | C17H12O5 |
| Exact Mass | 296.068473 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9XwFvkBzuyb |
|---|---|
| Name | Isounonal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.068473481 u |
| Formula | C17H12O5 |
| InChI | InChI=1S/C17H12O5/c1-9-15(20)11(8-18)17-14(16(9)21)12(19)7-13(22-17)10-5-3-2-4-6-10/h2-8,20-21H,1H3 |
| InChIKey | TXZFBUWNWNHMCS-UHFFFAOYSA-N |
| SMILES | C1(=CC(C2=C(C(=C(C(=C2O1)C=O)O)C)O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911404 |