| SpectraBase Compound ID | DtHQObljiMC |
|---|---|
| InChI | InChI=1S/C18H20N2O/c19-11-12-1-3-16(4-2-12)20-17(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-10H2,(H,20,21) |
| InChIKey | QLEDIFBFLMOLPD-UHFFFAOYSA-N |
| Mol Weight | 280.37 g/mol |
| Molecular Formula | C18H20N2O |
| Exact Mass | 280.157563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADXj4Hu0R6H |
|---|---|
| Name | Adamantane-1-carboxamide, N-(4-cyanophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.157563271 u |
| Formula | C18H20N2O |
| InChI | InChI=1S/C18H20N2O/c19-11-12-1-3-16(4-2-12)20-17(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-10H2,(H,20,21) |
| InChIKey | QLEDIFBFLMOLPD-UHFFFAOYSA-N |
| SMILES | C12(C(NC=3C=CC(=CC3)C#N)=O)CC3CC(C1)CC(C2)C3 |