![N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]thiophene-2-carboxamide](/api/spectrum/sblTP7S2z1/structure.png?h=300&w=458 "N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]thiophene-2-carboxamide")
| SpectraBase Compound ID | B8TFdGraNFf |
|---|---|
| InChI | InChI=1S/C18H19ClN2O2S/c19-14-8-6-13(7-9-14)12-21-10-2-1-4-15(18(21)23)20-17(22)16-5-3-11-24-16/h3,5-9,11,15H,1-2,4,10,12H2,(H,20,22) |
| InChIKey | IMXWUUYBZLDPDL-UHFFFAOYSA-N |
| Mol Weight | 362.88 g/mol |
| Molecular Formula | C18H19ClN2O2S |
| Exact Mass | 362.085577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | sblTP7S2z1 |
|---|---|
| Name | N-[1-(4-Chlorobenzyl)-2-oxoazepan-3-yl]thiophene-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.085576732 u |
| Formula | C18H19ClN2O2S |
| InChI | InChI=1S/C18H19ClN2O2S/c19-14-8-6-13(7-9-14)12-21-10-2-1-4-15(18(21)23)20-17(22)16-5-3-11-24-16/h3,5-9,11,15H,1-2,4,10,12H2,(H,20,22) |
| InChIKey | IMXWUUYBZLDPDL-UHFFFAOYSA-N |
| Molecular Weight | 362.875 g/mol |
| SMILES | C1(=CC=CS1)C(=O)NC1C(N(CCCC1)CC1=CC=C(C=C1)Cl)=O |