![N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]-3-nitrobenzamide](/api/spectrum/6Aiz14v9Xa5/structure.png?h=300&w=458 "N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]-3-nitrobenzamide")
| SpectraBase Compound ID | 2k8dBxKIToj |
|---|---|
| InChI | InChI=1S/C21H23N3O4/c1-15-7-2-3-8-17(15)14-23-12-5-4-11-19(21(23)26)22-20(25)16-9-6-10-18(13-16)24(27)28/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,22,25) |
| InChIKey | KVRAXIVVKIZDIP-UHFFFAOYSA-N |
| Mol Weight | 381.43 g/mol |
| Molecular Formula | C21H23N3O4 |
| Exact Mass | 381.168856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6Aiz14v9Xa5 |
|---|---|
| Name | N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]-3-nitrobenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.168856229 u |
| Formula | C21H23N3O4 |
| InChI | InChI=1S/C21H23N3O4/c1-15-7-2-3-8-17(15)14-23-12-5-4-11-19(21(23)26)22-20(25)16-9-6-10-18(13-16)24(27)28/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,22,25) |
| InChIKey | KVRAXIVVKIZDIP-UHFFFAOYSA-N |
| Molecular Weight | 381.432 g/mol |
| SMILES | C(C1=CC(=CC=C1)N(=O)=O)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O |