![1-Benzyl-octahydrocyclohepta[B]pyrrol-4-one](/api/spectrum/1Epg8Ra1Ntn/structure.png?h=300&w=458 "1-Benzyl-octahydrocyclohepta[B]pyrrol-4-one")
| SpectraBase Compound ID | JegiiLqxtvF |
|---|---|
| InChI | InChI=1S/C16H21NO/c18-16-9-5-4-8-15-14(16)10-11-17(15)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2 |
| InChIKey | AYGYFNNXABZJGF-UHFFFAOYSA-N |
| Mol Weight | 243.35 g/mol |
| Molecular Formula | C16H21NO |
| Exact Mass | 243.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Epg8Ra1Ntn |
|---|---|
| Name | 1-Benzyl-octahydrocyclohepta[B]pyrrol-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.162314299 u |
| Formula | C16H21NO |
| InChI | InChI=1S/C16H21NO/c18-16-9-5-4-8-15-14(16)10-11-17(15)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2 |
| InChIKey | AYGYFNNXABZJGF-UHFFFAOYSA-N |
| Molecular Weight | 243.350 g/mol |
| SMILES | C1CC(C2C(CC1)N(CC2)CC1=CC=CC=C1)=O |