![6-(2-Furyl)-9-[(p-chlorophenyl)methyl]-9H-purine](/api/spectrum/HpLf3Q8R19z/structure.png?h=300&w=458 "6-(2-Furyl)-9-[(p-chlorophenyl)methyl]-9H-purine")
| SpectraBase Compound ID | L0MfDJ4h7pu |
|---|---|
| InChI | InChI=1S/C16H11ClN4O/c17-12-5-3-11(4-6-12)8-21-10-20-15-14(13-2-1-7-22-13)18-9-19-16(15)21/h1-7,9-10H,8H2 |
| InChIKey | IKRFJTPPXGEQET-UHFFFAOYSA-N |
| Mol Weight | 310.74 g/mol |
| Molecular Formula | C16H11ClN4O |
| Exact Mass | 310.062139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpLf3Q8R19z |
|---|---|
| Name | 6-(2-Furyl)-9-[(p-chlorophenyl)methyl]-9H-purine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.062138689 u |
| Formula | C16H11ClN4O |
| InChI | InChI=1S/C16H11ClN4O/c17-12-5-3-11(4-6-12)8-21-10-20-15-14(13-2-1-7-22-13)18-9-19-16(15)21/h1-7,9-10H,8H2 |
| InChIKey | IKRFJTPPXGEQET-UHFFFAOYSA-N |
| Molecular Weight | 310.744 g/mol |
| SMILES | C1=2C(N(CC=3C=CC(=CC3)Cl)C=N1)=NC=NC2C=1OC=CC1 |