![N-(Hexahydro-2-oxo-1H-azepin-3-yl)-N'-[(3-pyridyl)methyl]oxamide](/api/spectrum/8S8LUubTb6q/structure.png?h=300&w=458 "N-(Hexahydro-2-oxo-1H-azepin-3-yl)-N'-[(3-pyridyl)methyl]oxamide")
| SpectraBase Compound ID | CFgRz6ueaEU |
|---|---|
| InChI | InChI=1S/C14H18N4O3/c19-12-11(5-1-2-7-16-12)18-14(21)13(20)17-9-10-4-3-6-15-8-10/h3-4,6,8,11H,1-2,5,7,9H2,(H,16,19)(H,17,20)(H,18,21) |
| InChIKey | CRRGKIISXWJPNP-UHFFFAOYSA-N |
| Mol Weight | 290.32 g/mol |
| Molecular Formula | C14H18N4O3 |
| Exact Mass | 290.13789 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8S8LUubTb6q |
|---|---|
| Name | N-(Hexahydro-2-oxo-1H-azepin-3-yl)-N'-[(3-pyridyl)methyl]oxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.137890453 u |
| Formula | C14H18N4O3 |
| InChI | InChI=1S/C14H18N4O3/c19-12-11(5-1-2-7-16-12)18-14(21)13(20)17-9-10-4-3-6-15-8-10/h3-4,6,8,11H,1-2,5,7,9H2,(H,16,19)(H,17,20)(H,18,21) |
| InChIKey | CRRGKIISXWJPNP-UHFFFAOYSA-N |
| Molecular Weight | 290.323 g/mol |
| SMILES | N1CCCCC(C1=O)NC(C(=O)NCC1=CC=CN=C1)=O |