| SpectraBase Compound ID | CKqNcOEdYXf |
|---|---|
| InChI | InChI=1S/C25H27N5/c1-2-10-16-21(15-9-1)27-24-22-25(29-23(28-24)20-13-7-4-8-14-20)30(18-26-22)17-19-11-5-3-6-12-19/h3-8,11-14,18,21H,1-2,9-10,15-17H2,(H,27,28,29) |
| InChIKey | XUTANSLOJCSHEW-UHFFFAOYSA-N |
| Mol Weight | 397.53 g/mol |
| Molecular Formula | C25H27N5 |
| Exact Mass | 397.226646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5AEXd7hhBhE |
|---|---|
| Name | N6-Cycloheptyl-2-phenyl-9-benzyladenine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.226645889 u |
| Formula | C25H27N5 |
| InChI | InChI=1S/C25H27N5/c1-2-10-16-21(15-9-1)27-24-22-25(29-23(28-24)20-13-7-4-8-14-20)30(18-26-22)17-19-11-5-3-6-12-19/h3-8,11-14,18,21H,1-2,9-10,15-17H2,(H,27,28,29) |
| InChIKey | XUTANSLOJCSHEW-UHFFFAOYSA-N |
| Molecular Weight | 397.526 g/mol |
| SMILES | C=1(N=C(C2=C(N1)N(C=N2)CC=1C=CC=CC1)NC1CCCCCC1)C=1C=CC=CC1 |