| SpectraBase Compound ID | 3jGazqdh0hh |
|---|---|
| InChI | InChI=1S/C12H12N6/c13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,13,14,15,16,17,18) |
| InChIKey | XSSREOLCRTWEPI-UHFFFAOYSA-N |
| Mol Weight | 240.27 g/mol |
| Molecular Formula | C12H12N6 |
| Exact Mass | 240.112344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHkbwdVqJOd |
|---|---|
| Name | 9H-Purine-2,6-diamine, N~6~-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.112344410 u |
| Formula | C12H12N6 |
| InChI | InChI=1S/C12H12N6/c13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,13,14,15,16,17,18) |
| InChIKey | XSSREOLCRTWEPI-UHFFFAOYSA-N |
| SMILES | N(C=1N=C(N=C2C1N=CN2)N)CC=1C=CC=CC1 |