![N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]picolinamide](/api/spectrum/CM1azN0Rrxi/structure.png?h=300&w=458 "N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]picolinamide")
| SpectraBase Compound ID | 7pmhiHjPlmi |
|---|---|
| InChI | InChI=1S/C19H20ClN3O2/c20-15-7-5-6-14(12-15)13-23-11-4-2-9-17(19(23)25)22-18(24)16-8-1-3-10-21-16/h1,3,5-8,10,12,17H,2,4,9,11,13H2,(H,22,24) |
| InChIKey | SCOABPYJNBQCIJ-UHFFFAOYSA-N |
| Mol Weight | 357.84 g/mol |
| Molecular Formula | C19H20ClN3O2 |
| Exact Mass | 357.124405 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CM1azN0Rrxi |
|---|---|
| Name | N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]picolinamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.124404594 u |
| Formula | C19H20ClN3O2 |
| InChI | InChI=1S/C19H20ClN3O2/c20-15-7-5-6-14(12-15)13-23-11-4-2-9-17(19(23)25)22-18(24)16-8-1-3-10-21-16/h1,3,5-8,10,12,17H,2,4,9,11,13H2,(H,22,24) |
| InChIKey | SCOABPYJNBQCIJ-UHFFFAOYSA-N |
| Molecular Weight | 357.841 g/mol |
| SMILES | C1(=CC=CC=N1)C(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O |