![N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]adamantane-2-carboxamide](/api/spectrum/DzE8UHZ1UcU/structure.png?h=300&w=458 "N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]adamantane-2-carboxamide")
| SpectraBase Compound ID | EQREz2hamPs |
|---|---|
| InChI | InChI=1S/C24H31ClN2O2/c25-20-6-4-15(5-7-20)14-27-8-2-1-3-21(24(27)29)26-23(28)22-18-10-16-9-17(12-18)13-19(22)11-16/h4-7,16-19,21-22H,1-3,8-14H2,(H,26,28)/t16-,17+,18-,19+,21?,22- |
| InChIKey | WISBSXVLCMMQDA-PUGVXKNXSA-N |
| Mol Weight | 414.98 g/mol |
| Molecular Formula | C24H31ClN2O2 |
| Exact Mass | 414.207406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DzE8UHZ1UcU |
|---|---|
| Name | N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]adamantane-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.207405944 u |
| Formula | C24H31ClN2O2 |
| InChI | InChI=1S/C24H31ClN2O2/c25-20-6-4-15(5-7-20)14-27-8-2-1-3-21(24(27)29)26-23(28)22-18-10-16-9-17(12-18)13-19(22)11-16/h4-7,16-19,21-22H,1-3,8-14H2,(H,26,28)/t16-,17+,18-,19+,21?,22- |
| InChIKey | WISBSXVLCMMQDA-PUGVXKNXSA-N |
| Molecular Weight | 414.977 g/mol |
| SMILES | C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3C(=O)NC1C(N(CC2=CC=C(Cl)C=C2)CCCC1)=O)[H])[H])[H])[H] |