| SpectraBase Compound ID | 6rS1NvCypbz |
|---|---|
| InChI | InChI=1S/C12H17N5O/c1-4-5-17-7-15-9-10(13-6-14-11(9)17)16-12(18)8(2)3/h6-8H,4-5H2,1-3H3,(H,13,14,16,18) |
| InChIKey | LEEYILNGVNUYAZ-UHFFFAOYSA-N |
| Mol Weight | 247.3 g/mol |
| Molecular Formula | C12H17N5O |
| Exact Mass | 247.14331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7THSYp3Q1bt |
|---|---|
| Name | N6-(2-Methylpropionyl)-9-popyladenine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.143310186 u |
| Formula | C12H17N5O |
| InChI | InChI=1S/C12H17N5O/c1-4-5-17-7-15-9-10(13-6-14-11(9)17)16-12(18)8(2)3/h6-8H,4-5H2,1-3H3,(H,13,14,16,18) |
| InChIKey | LEEYILNGVNUYAZ-UHFFFAOYSA-N |
| Molecular Weight | 247.302 g/mol |
| SMILES | C=12N=CN(C2=NC=NC1NC(=O)C(C)C)CCC |