| SpectraBase Compound ID | 9bngc7a2p5m |
|---|---|
| InChI | InChI=1S/C17H13N3O2/c18-10-9-13-1-5-15(6-2-13)20-17(21)12-22-16-7-3-14(11-19)4-8-16/h1-8H,9,12H2,(H,20,21) |
| InChIKey | LDTKYAHZPNSZHX-UHFFFAOYSA-N |
| Mol Weight | 291.31 g/mol |
| Molecular Formula | C17H13N3O2 |
| Exact Mass | 291.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8W9c6q78Arx |
|---|---|
| Name | Acetamide, N-(4-cyanomethylphenyl)-2-(4-cyanophenoxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.100776669 u |
| Formula | C17H13N3O2 |
| InChI | InChI=1S/C17H13N3O2/c18-10-9-13-1-5-15(6-2-13)20-17(21)12-22-16-7-3-14(11-19)4-8-16/h1-8H,9,12H2,(H,20,21) |
| InChIKey | LDTKYAHZPNSZHX-UHFFFAOYSA-N |
| SMILES | C(C#N)C1=CC=C(NC(COC2=CC=C(C#N)C=C2)=O)C=C1 |