| SpectraBase Compound ID | 9vgDXpqi3YX |
|---|---|
| InChI | InChI=1S/C12H17N3O2/c1-3-9(2)15-12(17)11(16)14-8-10-5-4-6-13-7-10/h4-7,9H,3,8H2,1-2H3,(H,14,16)(H,15,17) |
| InChIKey | QJPRHLULVLEBKN-UHFFFAOYSA-N |
| Mol Weight | 235.29 g/mol |
| Molecular Formula | C12H17N3O2 |
| Exact Mass | 235.132077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B9GVNYnmsB4 |
|---|---|
| Name | Ethanediamide, N-(1-methylpropyl)-N'-(3-pyridinylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.132076797 u |
| Formula | C12H17N3O2 |
| InChI | InChI=1S/C12H17N3O2/c1-3-9(2)15-12(17)11(16)14-8-10-5-4-6-13-7-10/h4-7,9H,3,8H2,1-2H3,(H,14,16)(H,15,17) |
| InChIKey | QJPRHLULVLEBKN-UHFFFAOYSA-N |
| Molecular Weight | 235.287 g/mol |
| SMILES | C(C(NCC1=CC=CN=C1)=O)(NC(CC)C)=O |