| SpectraBase Compound ID | 4Wep4T93kfD |
|---|---|
| InChI | InChI=1S/C16H25N5O5/c17-15-14-16(19-11-18-14)21(12-20-15)9-13-10-25-6-5-23-2-1-22-3-4-24-7-8-26-13/h11-13H,1-10,17H2 |
| InChIKey | IDNUXFQOVJCUTF-UHFFFAOYSA-N |
| Mol Weight | 367.41 g/mol |
| Molecular Formula | C16H25N5O5 |
| Exact Mass | 367.185569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9H1PUIBVk2 |
|---|---|
| Name | 2-(6-Aminopurin-3-yl)-1,4,7,10,13-pentaoxacyclopentadecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.185568920 u |
| Formula | C16H25N5O5 |
| InChI | InChI=1S/C16H25N5O5/c17-15-14-16(19-11-18-14)21(12-20-15)9-13-10-25-6-5-23-2-1-22-3-4-24-7-8-26-13/h11-13H,1-10,17H2 |
| InChIKey | IDNUXFQOVJCUTF-UHFFFAOYSA-N |
| Molecular Weight | 367.406 g/mol |
| SMILES | C=12C(N(CC3OCCOCCOCCOCCOC3)C=NC1N)=NC=N2 |