| SpectraBase Compound ID | KlPU5CLg6Uh |
|---|---|
| InChI | InChI=1S/C15H11N3O/c16-10-5-6-13-9(7-10)8-18-14(17-13)11-3-1-2-4-12(11)15(18)19/h1-7H,8,16H2 |
| InChIKey | SRIOCKJKFXAKHK-UHFFFAOYSA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C15H11N3O |
| Exact Mass | 249.090212 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 780OEUng6ys |
|---|---|
| Name | Daniquidone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.090211985 u |
| Formula | C15H11N3O |
| InChI | InChI=1S/C15H11N3O/c16-10-5-6-13-9(7-10)8-18-14(17-13)11-3-1-2-4-12(11)15(18)19/h1-7H,8,16H2 |
| InChIKey | SRIOCKJKFXAKHK-UHFFFAOYSA-N |
| Molecular Weight | 249.273 g/mol |
| SMILES | C1=CC=CC2=C1C1=NC3=CC=C(C=C3CN1C2=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807687 |