| SpectraBase Compound ID | 80vm301FAny |
|---|---|
| InChI | InChI=1S/C14H11N3O/c15-10-11(9-13-7-4-8-16-13)14(18)17-12-5-2-1-3-6-12/h1-9,16H,(H,17,18)/b11-9- |
| InChIKey | DSACFZBIYBWMAD-LUAWRHEFSA-N |
| Mol Weight | 237.26 g/mol |
| Molecular Formula | C14H11N3O |
| Exact Mass | 237.090212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9dEev3WglhH |
|---|---|
| Name | (2Z)-2-Cyano-N-phenyl-3-(1H-pyrrol-2-yl)-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.090211985 u |
| Formula | C14H11N3O |
| InChI | InChI=1S/C14H11N3O/c15-10-11(9-13-7-4-8-16-13)14(18)17-12-5-2-1-3-6-12/h1-9,16H,(H,17,18)/b11-9- |
| InChIKey | DSACFZBIYBWMAD-LUAWRHEFSA-N |
| Molecular Weight | 237.262 g/mol |
| SMILES | N(C(\C(=C/C=1NC=CC1)C#N)=O)C=1C=CC=CC1 |