![N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]-2-(thiophen-2-yl)acetamide](/api/spectrum/Hwv4SYr8sf7/structure.png?h=300&w=458 "N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]-2-(thiophen-2-yl)acetamide")
| SpectraBase Compound ID | A16ktvSw2Tz |
|---|---|
| InChI | InChI=1S/C20H24N2O2S/c1-15-7-2-3-8-16(15)14-22-11-5-4-10-18(20(22)24)21-19(23)13-17-9-6-12-25-17/h2-3,6-9,12,18H,4-5,10-11,13-14H2,1H3,(H,21,23) |
| InChIKey | PJOZTEMBONUMCT-UHFFFAOYSA-N |
| Mol Weight | 356.48 g/mol |
| Molecular Formula | C20H24N2O2S |
| Exact Mass | 356.155849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hwv4SYr8sf7 |
|---|---|
| Name | N-[1-(2-Methylbenzyl)-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 | 356.155849193 u |
| Formula | C20H24N2O2S |
| InChI | InChI=1S/C20H24N2O2S/c1-15-7-2-3-8-16(15)14-22-11-5-4-10-18(20(22)24)21-19(23)13-17-9-6-12-25-17/h2-3,6-9,12,18H,4-5,10-11,13-14H2,1H3,(H,21,23) |
| InChIKey | PJOZTEMBONUMCT-UHFFFAOYSA-N |
| Molecular Weight | 356.484 g/mol |
| SMILES | C(CC1=CC=CS1)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O |