| SpectraBase Compound ID | LZAbsPJ2sYZ |
|---|---|
| InChI | InChI=1S/C14H13N5O/c1-10(20)18-13-12-14(16-8-15-13)19(9-17-12)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16,18,20) |
| InChIKey | KTGCXVJIHIVAJM-UHFFFAOYSA-N |
| Mol Weight | 267.29 g/mol |
| Molecular Formula | C14H13N5O |
| Exact Mass | 267.11201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | UuFZ1pB5q5 |
|---|---|
| Name | 9-Benzyl-9H-purin-6-amine, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.112010058 u |
| Formula | C14H13N5O |
| InChI | InChI=1S/C14H13N5O/c1-10(20)18-13-12-14(16-8-15-13)19(9-17-12)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16,18,20) |
| InChIKey | KTGCXVJIHIVAJM-UHFFFAOYSA-N |
| SMILES | C(N1C2=C(C(NC(C)=O)=NC=N2)N=C1)C1=CC=CC=C1 |