![N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]pivalamide](/api/spectrum/LO0FZcH21iI/structure.png?h=300&w=458 "N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]pivalamide")
| SpectraBase Compound ID | 19DH9lpTE2Q |
|---|---|
| InChI | InChI=1S/C18H25ClN2O2/c1-18(2,3)17(23)20-15-9-4-5-10-21(16(15)22)12-13-7-6-8-14(19)11-13/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H,20,23) |
| InChIKey | YOKAAEGLFQUZSE-UHFFFAOYSA-N |
| Mol Weight | 336.86 g/mol |
| Molecular Formula | C18H25ClN2O2 |
| Exact Mass | 336.160456 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LO0FZcH21iI |
|---|---|
| Name | N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]pivalamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.160455751 u |
| Formula | C18H25ClN2O2 |
| InChI | InChI=1S/C18H25ClN2O2/c1-18(2,3)17(23)20-15-9-4-5-10-21(16(15)22)12-13-7-6-8-14(19)11-13/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H,20,23) |
| InChIKey | YOKAAEGLFQUZSE-UHFFFAOYSA-N |
| Molecular Weight | 336.863 g/mol |
| SMILES | C(C(C)(C)C)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O |