| SpectraBase Compound ID | 5TcCsgUit9z |
|---|---|
| InChI | InChI=1S/C16H18N4/c1-2-3-9-14-15-16(18-11-17-14)20(12-19-15)10-13-7-5-4-6-8-13/h4-8,11-12H,2-3,9-10H2,1H3 |
| InChIKey | ACOVVJBEVYUVMK-UHFFFAOYSA-N |
| Mol Weight | 266.35 g/mol |
| Molecular Formula | C16H18N4 |
| Exact Mass | 266.153147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LbHFMtHXbLP |
|---|---|
| Name | 6-Butyl-9-(phenylmethyl)purine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.153146596 u |
| Formula | C16H18N4 |
| InChI | InChI=1S/C16H18N4/c1-2-3-9-14-15-16(18-11-17-14)20(12-19-15)10-13-7-5-4-6-8-13/h4-8,11-12H,2-3,9-10H2,1H3 |
| InChIKey | ACOVVJBEVYUVMK-UHFFFAOYSA-N |
| Molecular Weight | 266.348 g/mol |
| SMILES | C=12N(C=NC2=C(CCCC)N=CN1)CC=1C=CC=CC1 |