| SpectraBase Compound ID | LNu4e0ipWmo |
|---|---|
| InChI | InChI=1S/C13H13N5/c1-14-12-11-13(16-8-15-12)18(9-17-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,16) |
| InChIKey | WHQCXZULGYACQH-UHFFFAOYSA-N |
| Mol Weight | 239.28 g/mol |
| Molecular Formula | C13H13N5 |
| Exact Mass | 239.117095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5VKhZwGrxww |
|---|---|
| Name | (9-Benzylpurin-6-yl)-methyl-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.117095439 u |
| Formula | C13H13N5 |
| InChI | InChI=1S/C13H13N5/c1-14-12-11-13(16-8-15-12)18(9-17-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,16) |
| InChIKey | WHQCXZULGYACQH-UHFFFAOYSA-N |
| Molecular Weight | 239.282 g/mol |
| SMILES | C=12N(C=NC2=C(NC)N=CN1)CC=1C=CC=CC1 |