| SpectraBase Compound ID | M76pPh5Yw5 |
|---|---|
| InChI | InChI=1S/C17H26N4O2/c1-4-10-20-15-13(16(22)21(11-5-2)17(20)23)19(3)14(18-15)12-8-6-7-9-12/h12H,4-11H2,1-3H3 |
| InChIKey | IEKYXRLUXURDTP-UHFFFAOYSA-N |
| Mol Weight | 318.42 g/mol |
| Molecular Formula | C17H26N4O2 |
| Exact Mass | 318.205576 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ENM1LsrA8bm |
|---|---|
| Name | 1,3-Dipropyl-8-cyclopentylxanthine, N-methyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.205576091 u |
| Formula | C17H26N4O2 |
| InChI | InChI=1S/C17H26N4O2/c1-4-10-20-15-13(16(22)21(11-5-2)17(20)23)19(3)14(18-15)12-8-6-7-9-12/h12H,4-11H2,1-3H3 |
| InChIKey | IEKYXRLUXURDTP-UHFFFAOYSA-N |
| Molecular Weight | 318.421 g/mol |
| SMILES | CN1C2=C(N=C1C1CCCC1)N(CCC)C(N(CCC)C2=O)=O |