| SpectraBase Compound ID | Uglj7ZZy2k |
|---|---|
| InChI | InChI=1S/C17H24N4O6/c1-6-12(26-10(2)22)7-13(27-11(3)23)8-21-16(24)14-15(18-9-19(14)4)20(5)17(21)25/h9,12-13H,6-8H2,1-5H3 |
| InChIKey | YGCJSVLDPCSPFL-UHFFFAOYSA-N |
| Mol Weight | 380.4 g/mol |
| Molecular Formula | C17H24N4O6 |
| Exact Mass | 380.169585 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 | LWPIm4HcdR4 |
|---|---|
| Name | Pentifylline-m isomer-2 2ac P1357 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.169584503 u |
| Formula | C17H24N4O6 |
| InChI | InChI=1S/C17H24N4O6/c1-6-12(26-10(2)22)7-13(27-11(3)23)8-21-16(24)14-15(18-9-19(14)4)20(5)17(21)25/h9,12-13H,6-8H2,1-5H3 |
| InChIKey | YGCJSVLDPCSPFL-UHFFFAOYSA-N |
| Molecular Weight | 380.401 g/mol |
| SMILES | C=12C(N(CC(CC(CC)OC(C)=O)OC(C)=O)C(N(C1N=CN2C)C)=O)=O |