| SpectraBase Compound ID | 7xzTaoXENGD |
|---|---|
| InChI | InChI=1S/C14H12N4O/c1-17(13-5-3-2-4-6-13)14(19)12(9-15)10-18-8-7-16-11-18/h2-8,10-11H,1H3/b12-10+ |
| InChIKey | XGBLHNNHLXQOEM-ZRDIBKRKSA-N |
| Mol Weight | 252.28 g/mol |
| Molecular Formula | C14H12N4O |
| Exact Mass | 252.101111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | eu3MPVVmL5 |
|---|---|
| Name | 2-Cyano-3-(1H-imidazol-1-yl)-N-methyl-N-phenylacrylamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.101111021 u |
| Formula | C14H12N4O |
| InChI | InChI=1S/C14H12N4O/c1-17(13-5-3-2-4-6-13)14(19)12(9-15)10-18-8-7-16-11-18/h2-8,10-11H,1H3/b12-10+ |
| InChIKey | XGBLHNNHLXQOEM-ZRDIBKRKSA-N |
| Molecular Weight | 252.277 g/mol |
| SMILES | C(\C(=C\N1C=NC=C1)C#N)(N(C=1C=CC=CC1)C)=O |