| SpectraBase Compound ID | DslSu6FqB2X |
|---|---|
| InChI | InChI=1S/C13H17N3O2/c17-12-11(8-4-5-9-14-12)16-13(18)15-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,17)(H2,15,16,18) |
| InChIKey | UAHKLTCJHGNNFB-UHFFFAOYSA-N |
| Mol Weight | 247.3 g/mol |
| Molecular Formula | C13H17N3O2 |
| Exact Mass | 247.132077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtLcaiTI9CV |
|---|---|
| Name | 1-(Hexahydro-2-oxo-1H-azepin-3-yl)-3-phenylurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.132076797 u |
| Formula | C13H17N3O2 |
| InChI | InChI=1S/C13H17N3O2/c17-12-11(8-4-5-9-14-12)16-13(18)15-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,17)(H2,15,16,18) |
| InChIKey | UAHKLTCJHGNNFB-UHFFFAOYSA-N |
| Molecular Weight | 247.298 g/mol |
| SMILES | N(C1=CC=CC=C1)C(NC1C(NCCCC1)=O)=O |