| SpectraBase Compound ID | A0OqRcOEuA5 |
|---|---|
| InChI | InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1 |
| InChIKey | NSMXQKNUPPXBRG-SECBINFHSA-N |
| Mol Weight | 280.33 g/mol |
| Molecular Formula | C13H20N4O3 |
| Exact Mass | 280.153541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFl9dw9pM3q |
|---|---|
| Name | Lisofylline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.153540517 u |
| Formula | C13H20N4O3 |
| InChI | InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1 |
| InChIKey | NSMXQKNUPPXBRG-SECBINFHSA-N |
| Molecular Weight | 280.328 g/mol |
| SMILES | C12=C(N(C(N(C2=O)CCCC[C@](O)(C)[H])=O)C)N=CN1C |