| SpectraBase Compound ID | 3zjuRQkXgiR |
|---|---|
| InChI | InChI=1S/C21H14N2O2/c22-13-14-9-11-15(12-10-14)23-21(24)20-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)20/h1-12,20H,(H,23,24) |
| InChIKey | XZIYZTUDTDGIPO-UHFFFAOYSA-N |
| Mol Weight | 326.36 g/mol |
| Molecular Formula | C21H14N2O2 |
| Exact Mass | 326.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JoJNWBQztBX |
|---|---|
| Name | N-(4-Cyanophenyl)-9H-xanthene-9-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.105527697 u |
| Formula | C21H14N2O2 |
| InChI | InChI=1S/C21H14N2O2/c22-13-14-9-11-15(12-10-14)23-21(24)20-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)20/h1-12,20H,(H,23,24) |
| InChIKey | XZIYZTUDTDGIPO-UHFFFAOYSA-N |
| SMILES | N(C(C1C2=C(C=CC=C2)OC2=C1C=CC=C2)=O)C1=CC=C(C#N)C=C1 |