![2H-Azepin-2-one, hexahydro-1-[3-[(phenylmethyl)amino]propyl]-](/api/spectrum/FEU1jPtl0Ec/structure.png?h=300&w=458 "2H-Azepin-2-one, hexahydro-1-[3-[(phenylmethyl)amino]propyl]-")
| SpectraBase Compound ID | 5CMDRRBrwzM |
|---|---|
| InChI | InChI=1S/C16H24N2O/c19-16-10-5-2-6-12-18(16)13-7-11-17-14-15-8-3-1-4-9-15/h1,3-4,8-9,17H,2,5-7,10-14H2 |
| InChIKey | UQLKFBZWJWPDIU-UHFFFAOYSA-N |
| Mol Weight | 260.38 g/mol |
| Molecular Formula | C16H24N2O |
| Exact Mass | 260.188863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FEU1jPtl0Ec |
|---|---|
| Name | 2H-Azepin-2-one, hexahydro-1-[3-[(phenylmethyl)amino]propyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.188863400 u |
| Formula | C16H24N2O |
| InChI | InChI=1S/C16H24N2O/c19-16-10-5-2-6-12-18(16)13-7-11-17-14-15-8-3-1-4-9-15/h1,3-4,8-9,17H,2,5-7,10-14H2 |
| InChIKey | UQLKFBZWJWPDIU-UHFFFAOYSA-N |
| Molecular Weight | 260.381 g/mol |
| SMILES | C1(N(CCCCC1)CCCNCC=1C=CC=CC1)=O |