![N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-2-(thiophen-2-yl)acetamide](/api/spectrum/JMKGbZoH8Ye/structure.png?h=300&w=458 "N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-2-(thiophen-2-yl)acetamide")
| SpectraBase Compound ID | H8z9gkQSHQj |
|---|---|
| InChI | InChI=1S/C19H21ClN2O2S/c20-15-8-6-14(7-9-15)13-22-10-2-1-5-17(19(22)24)21-18(23)12-16-4-3-11-25-16/h3-4,6-9,11,17H,1-2,5,10,12-13H2,(H,21,23) |
| InChIKey | AXLSADWXEOKIPV-UHFFFAOYSA-N |
| Mol Weight | 376.9 g/mol |
| Molecular Formula | C19H21ClN2O2S |
| Exact Mass | 376.101227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMKGbZoH8Ye |
|---|---|
| Name | N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]-2-(thiophen-2-yl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.101226796 u |
| Formula | C19H21ClN2O2S |
| InChI | InChI=1S/C19H21ClN2O2S/c20-15-8-6-14(7-9-15)13-22-10-2-1-5-17(19(22)24)21-18(23)12-16-4-3-11-25-16/h3-4,6-9,11,17H,1-2,5,10,12-13H2,(H,21,23) |
| InChIKey | AXLSADWXEOKIPV-UHFFFAOYSA-N |
| Molecular Weight | 376.902 g/mol |
| SMILES | C(CC1=CC=CS1)(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)Cl)=O |