| SpectraBase Compound ID | HGT4GS1VyVk |
|---|---|
| InChI | InChI=1S/C15H18N6/c16-14-13-15(19-10-18-14)21(11-20-13)9-8-17-7-6-12-4-2-1-3-5-12/h1-5,10-11,17H,6-9H2,(H2,16,18,19) |
| InChIKey | OSYGQVBMAWMOPA-UHFFFAOYSA-N |
| Mol Weight | 282.35 g/mol |
| Molecular Formula | C15H18N6 |
| Exact Mass | 282.159295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFemNFZ4R0K |
|---|---|
| Name | 9H-Purine-9-ethanamine, 6-amino-N-(2-phenylethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.159294604 u |
| Formula | C15H18N6 |
| InChI | InChI=1S/C15H18N6/c16-14-13-15(19-10-18-14)21(11-20-13)9-8-17-7-6-12-4-2-1-3-5-12/h1-5,10-11,17H,6-9H2,(H2,16,18,19) |
| InChIKey | OSYGQVBMAWMOPA-UHFFFAOYSA-N |
| SMILES | C1=CC=CC=C1CCNCCN1C2=NC=NC(N)=C2N=C1 |