![N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]propionamide](/api/spectrum/CWIMxefXjlz/structure.png?h=300&w=458 "N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]propionamide")
| SpectraBase Compound ID | H9WGvAOXyRV |
|---|---|
| InChI | InChI=1S/C15H17N3OS/c1-4-14(19)17-15-13(8-16)10(2)11(3)18(15)9-12-6-5-7-20-12/h5-7H,4,9H2,1-3H3,(H,17,19) |
| InChIKey | HPYRVTVPCOJWDB-UHFFFAOYSA-N |
| Mol Weight | 287.38 g/mol |
| Molecular Formula | C15H17N3OS |
| Exact Mass | 287.109233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CWIMxefXjlz |
|---|---|
| Name | N-[3-Cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]propionamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.109233352 u |
| Formula | C15H17N3OS |
| InChI | InChI=1S/C15H17N3OS/c1-4-14(19)17-15-13(8-16)10(2)11(3)18(15)9-12-6-5-7-20-12/h5-7H,4,9H2,1-3H3,(H,17,19) |
| InChIKey | HPYRVTVPCOJWDB-UHFFFAOYSA-N |
| SMILES | N(C1=C(C(=C(N1CC1=CC=CS1)C)C)C#N)C(CC)=O |