| SpectraBase Compound ID | AsR8rP4AmCE |
|---|---|
| InChI | InChI=1S/C20H22N2O/c23-13-17-12-22(18-4-2-1-3-5-18)21-19(17)20-9-14-6-15(10-20)8-16(7-14)11-20/h1-5,12-16H,6-11H2 |
| InChIKey | JJUDUQXQEOVISD-UHFFFAOYSA-N |
| Mol Weight | 306.41 g/mol |
| Molecular Formula | C20H22N2O |
| Exact Mass | 306.173213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GrX5dSmJflp |
|---|---|
| Name | Pyrazole-4-carboxaldehyde, 3-(1-adamantyl)-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.173213335 u |
| Formula | C20H22N2O |
| InChI | InChI=1S/C20H22N2O/c23-13-17-12-22(18-4-2-1-3-5-18)21-19(17)20-9-14-6-15(10-20)8-16(7-14)11-20/h1-5,12-16H,6-11H2 |
| InChIKey | JJUDUQXQEOVISD-UHFFFAOYSA-N |
| Molecular Weight | 306.409 g/mol |
| SMILES | C(C1=CN(C2=CC=CC=C2)N=C1C12CC3CC(C2)CC(C3)C1)=O |