![4-Butoxy-N-[1-(3-chlorobenzyl)-2-oxoazepan-3-yl]benzamide](/api/spectrum/7kgxfy7A288/structure.png?h=300&w=458 "4-Butoxy-N-[1-(3-chlorobenzyl)-2-oxoazepan-3-yl]benzamide")
| SpectraBase Compound ID | CT79Xt3rAZJ |
|---|---|
| InChI | InChI=1S/C24H29ClN2O3/c1-2-3-15-30-21-12-10-19(11-13-21)23(28)26-22-9-4-5-14-27(24(22)29)17-18-7-6-8-20(25)16-18/h6-8,10-13,16,22H,2-5,9,14-15,17H2,1H3,(H,26,28) |
| InChIKey | RKZAVPQHDDBEBE-UHFFFAOYSA-N |
| Mol Weight | 428.96 g/mol |
| Molecular Formula | C24H29ClN2O3 |
| Exact Mass | 428.18667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7kgxfy7A288 |
|---|---|
| Name | 4-Butoxy-N-[1-(3-chlorobenzyl)-2-oxoazepan-3-yl]benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.186670499 u |
| Formula | C24H29ClN2O3 |
| InChI | InChI=1S/C24H29ClN2O3/c1-2-3-15-30-21-12-10-19(11-13-21)23(28)26-22-9-4-5-14-27(24(22)29)17-18-7-6-8-20(25)16-18/h6-8,10-13,16,22H,2-5,9,14-15,17H2,1H3,(H,26,28) |
| InChIKey | RKZAVPQHDDBEBE-UHFFFAOYSA-N |
| Molecular Weight | 428.960 g/mol |
| SMILES | C(C1=CC=C(C=C1)OCCCC)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O |