| SpectraBase Compound ID | 1cvrYN6ewpW |
|---|---|
| InChI | InChI=1S/C25H27N5O/c1-31-21-14-12-18(13-15-21)16-30-17-26-22-24(27-20-10-6-3-7-11-20)28-23(29-25(22)30)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,17,20H,3,6-7,10-11,16H2,1H3,(H,27,28,29) |
| InChIKey | NDVLBUJQEISTOS-UHFFFAOYSA-N |
| Mol Weight | 413.53 g/mol |
| Molecular Formula | C25H27N5O |
| Exact Mass | 413.221561 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRKRSsdW0TW |
|---|---|
| Name | 9-(p-Methoxybenzyl)-6(N)-cyclohexyl-2-phenyladenine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.221560508 u |
| Formula | C25H27N5O |
| InChI | InChI=1S/C25H27N5O/c1-31-21-14-12-18(13-15-21)16-30-17-26-22-24(27-20-10-6-3-7-11-20)28-23(29-25(22)30)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,17,20H,3,6-7,10-11,16H2,1H3,(H,27,28,29) |
| InChIKey | NDVLBUJQEISTOS-UHFFFAOYSA-N |
| Molecular Weight | 413.525 g/mol |
| SMILES | C=12C(=C(NC3CCCCC3)N=C(N1)C1=CC=CC=C1)N=CN2CC1=CC=C(C=C1)OC |