![Ethyl 1-benzyl-4-oxo-octahydrocyclohepta[B]pyrrole-2-carboxylate](/api/spectrum/CSa7b2vjNQ0/structure.png?h=300&w=458 "Ethyl 1-benzyl-4-oxo-octahydrocyclohepta[B]pyrrole-2-carboxylate")
| SpectraBase Compound ID | q4CWwCvf55 |
|---|---|
| InChI | InChI=1S/C19H25NO3/c1-2-23-19(22)17-12-15-16(10-6-7-11-18(15)21)20(17)13-14-8-4-3-5-9-14/h3-5,8-9,15-17H,2,6-7,10-13H2,1H3 |
| InChIKey | BHSQQNRNUQVUSQ-UHFFFAOYSA-N |
| Mol Weight | 315.41 g/mol |
| Molecular Formula | C19H25NO3 |
| Exact Mass | 315.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSa7b2vjNQ0 |
|---|---|
| Name | Ethyl 1-benzyl-4-oxo-octahydrocyclohepta[B]pyrrole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.183443666 u |
| Formula | C19H25NO3 |
| InChI | InChI=1S/C19H25NO3/c1-2-23-19(22)17-12-15-16(10-6-7-11-18(15)21)20(17)13-14-8-4-3-5-9-14/h3-5,8-9,15-17H,2,6-7,10-13H2,1H3 |
| InChIKey | BHSQQNRNUQVUSQ-UHFFFAOYSA-N |
| SMILES | C1C2C(C(=O)CCC1)CC(N2CC1=CC=CC=C1)C(OCC)=O |