![3-benzyl-4-oxo-3,4,6,7,8-pentahydro-5H-pyrrolo[2,1-f]purine](/api/spectrum/ERUTLi6xaa/structure.png?h=300&w=458 "3-benzyl-4-oxo-3,4,6,7,8-pentahydro-5H-pyrrolo[2,1-f]purine")
| SpectraBase Compound ID | 7adVdJbpNBo |
|---|---|
| InChI | InChI=1S/C15H14N4O/c20-15-13-14(17-12-7-4-8-19(12)13)16-10-18(15)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2 |
| InChIKey | JGGFEQHXSNEDMV-UHFFFAOYSA-N |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C15H14N4O |
| Exact Mass | 266.116761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ERUTLi6xaa |
|---|---|
| Name | 3-Benzyl-4-oxo-3,4,6,7,8-pentahydro-5H-pyrrolo[2,1-F]purine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.116761086 u |
| Formula | C15H14N4O |
| InChI | InChI=1S/C15H14N4O/c20-15-13-14(17-12-7-4-8-19(12)13)16-10-18(15)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2 |
| InChIKey | JGGFEQHXSNEDMV-UHFFFAOYSA-N |
| SMILES | C12=C(N=C3N2CCC3)N=CN(C1=O)Cc1ccccc1 |