| SpectraBase Compound ID | 2p2y1IeGXFP |
|---|---|
| InChI | InChI=1S/C11H13N3O2/c12-6-3-7-14-11(16)9-5-2-1-4-8(9)10(15)13-14/h1-2,4-5H,3,6-7,12H2,(H,13,15) |
| InChIKey | PTUMXILTENAYOT-UHFFFAOYSA-N |
| Mol Weight | 219.24 g/mol |
| Molecular Formula | C11H13N3O2 |
| Exact Mass | 219.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEneTs8Axhb |
|---|---|
| Name | 2-(3-Aminopropyl)-1,4-dioxo-1,2,3,4-tetrahydrophthalazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.100776669 u |
| Formula | C11H13N3O2 |
| InChI | InChI=1S/C11H13N3O2/c12-6-3-7-14-11(16)9-5-2-1-4-8(9)10(15)13-14/h1-2,4-5H,3,6-7,12H2,(H,13,15) |
| InChIKey | PTUMXILTENAYOT-UHFFFAOYSA-N |
| Molecular Weight | 219.244 g/mol |
| SMILES | C1=CC=C2C(=C1)C(NN(C2=O)CCCN)=O |