![[7-(p-Fluorobenzyl)-7H-purin-6'-yl]-amine](/api/spectrum/8Q4CUBEAl0I/structure.png?h=300&w=458 "[7-(p-Fluorobenzyl)-7H-purin-6'-yl]-amine")
| SpectraBase Compound ID | LPMRUdrp931 |
|---|---|
| InChI | InChI=1S/C12H10FN5/c13-9-3-1-8(2-4-9)5-18-7-17-12-10(18)11(14)15-6-16-12/h1-4,6-7H,5H2,(H2,14,15,16) |
| InChIKey | CQLKWESHTUNFIE-UHFFFAOYSA-N |
| Mol Weight | 243.25 g/mol |
| Molecular Formula | C12H10FN5 |
| Exact Mass | 243.092024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Q4CUBEAl0I |
|---|---|
| Name | [7-(p-Fluorobenzyl)-7H-purin-6'-yl]-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.092023505 u |
| Formula | C12H10FN5 |
| InChI | InChI=1S/C12H10FN5/c13-9-3-1-8(2-4-9)5-18-7-17-12-10(18)11(14)15-6-16-12/h1-4,6-7H,5H2,(H2,14,15,16) |
| InChIKey | CQLKWESHTUNFIE-UHFFFAOYSA-N |
| Molecular Weight | 243.245 g/mol |
| SMILES | C=12N(C=NC2=NC=NC1N)CC=1C=CC(=CC1)F |