| SpectraBase Compound ID | GCJ9ER8Nsfb |
|---|---|
| InChI | InChI=1S/C16H17N7O/c24-16(22-12-2-1-5-17-8-12)11-3-6-23(7-4-11)15-13-14(19-9-18-13)20-10-21-15/h1-2,5,8-11H,3-4,6-7H2,(H,22,24)(H,18,19,20,21) |
| InChIKey | OJCDSMMEVWGZTI-UHFFFAOYSA-N |
| Mol Weight | 323.36 g/mol |
| Molecular Formula | C16H17N7O |
| Exact Mass | 323.149458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GSgp43HPlV8 |
|---|---|
| Name | 4-Piperidinecarboxamide, 1-(7H-purin-6-yl)-N-(3-pyridinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.149458194 u |
| Formula | C16H17N7O |
| InChI | InChI=1S/C16H17N7O/c24-16(22-12-2-1-5-17-8-12)11-3-6-23(7-4-11)15-13-14(19-9-18-13)20-10-21-15/h1-2,5,8-11H,3-4,6-7H2,(H,22,24)(H,18,19,20,21) |
| InChIKey | OJCDSMMEVWGZTI-UHFFFAOYSA-N |
| SMILES | N(C(C1CCN(C2=C3C(=NC=N2)N=CN3)CC1)=O)C1=CN=CC=C1 |