![5-Chloro-N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide, N-methyl-](/api/spectrum/CKj8Eq0vnPf/structure.png?h=300&w=458 "5-Chloro-N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide, N-methyl-")
| SpectraBase Compound ID | 61FaxSWGMqE |
|---|---|
| InChI | InChI=1S/C12H14ClN3OS/c1-15(6-2-7-16-8-5-14-9-16)12(17)10-3-4-11(13)18-10/h3-5,8-9H,2,6-7H2,1H3 |
| InChIKey | OLRXYXWTIZMAON-UHFFFAOYSA-N |
| Mol Weight | 283.78 g/mol |
| Molecular Formula | C12H14ClN3OS |
| Exact Mass | 283.054611 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKj8Eq0vnPf |
|---|---|
| Name | 5-Chloro-N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide, N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.054610956 u |
| Formula | C12H14ClN3OS |
| InChI | InChI=1S/C12H14ClN3OS/c1-15(6-2-7-16-8-5-14-9-16)12(17)10-3-4-11(13)18-10/h3-5,8-9H,2,6-7H2,1H3 |
| InChIKey | OLRXYXWTIZMAON-UHFFFAOYSA-N |
| SMILES | C=1(SC(=CC1)C(=O)N(CCCN1C=NC=C1)C)Cl |