| SpectraBase Compound ID | K93Lf2sfE9v |
|---|---|
| InChI | InChI=1S/C13H9N5/c14-6-11-12-13(16-8-15-11)18(9-17-12)7-10-4-2-1-3-5-10/h1-5,8-9H,7H2 |
| InChIKey | HQXMFZSLTNSVRR-UHFFFAOYSA-N |
| Mol Weight | 235.25 g/mol |
| Molecular Formula | C13H9N5 |
| Exact Mass | 235.085795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9oTamIeuQzq |
|---|---|
| Name | 9-(Phenylmethyl)-6-purinecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.085795310 u |
| Formula | C13H9N5 |
| InChI | InChI=1S/C13H9N5/c14-6-11-12-13(16-8-15-11)18(9-17-12)7-10-4-2-1-3-5-10/h1-5,8-9H,7H2 |
| InChIKey | HQXMFZSLTNSVRR-UHFFFAOYSA-N |
| Molecular Weight | 235.250 g/mol |
| SMILES | C=12N(C=NC2=C(C#N)N=CN1)CC=1C=CC=CC1 |