![2-Pyrazinecarboxamide, N-[[4-(1H-pyrrol-1-yl)phenyl]methyl]-](/api/spectrum/4mK6shPA33i/structure.png?h=300&w=458 "2-Pyrazinecarboxamide, N-[[4-(1H-pyrrol-1-yl)phenyl]methyl]-")
| SpectraBase Compound ID | Ey9R4YYhiQ4 |
|---|---|
| InChI | InChI=1S/C16H14N4O/c21-16(15-12-17-7-8-18-15)19-11-13-3-5-14(6-4-13)20-9-1-2-10-20/h1-10,12H,11H2,(H,19,21) |
| InChIKey | SCHFPCNHHNTABC-UHFFFAOYSA-N |
| Mol Weight | 278.31 g/mol |
| Molecular Formula | C16H14N4O |
| Exact Mass | 278.116761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4mK6shPA33i |
|---|---|
| Name | 2-Pyrazinecarboxamide, N-[[4-(1H-pyrrol-1-yl)phenyl]methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.116761086 u |
| Formula | C16H14N4O |
| InChI | InChI=1S/C16H14N4O/c21-16(15-12-17-7-8-18-15)19-11-13-3-5-14(6-4-13)20-9-1-2-10-20/h1-10,12H,11H2,(H,19,21) |
| InChIKey | SCHFPCNHHNTABC-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1CNC(=O)C=1C=NC=CN1)N1C=CC=C1 |