| SpectraBase Compound ID | JhtNwf678fc |
|---|---|
| InChI | InChI=1S/C20H16N2O/c1-14-18(13-21)19(16-9-5-3-6-10-16)20(22(14)15(2)23)17-11-7-4-8-12-17/h3-12H,1-2H3 |
| InChIKey | RRXKUSGEQOZYQE-UHFFFAOYSA-N |
| Mol Weight | 300.36 g/mol |
| Molecular Formula | C20H16N2O |
| Exact Mass | 300.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUpnVccrIz1 |
|---|---|
| Name | 1-Acetyl-2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.126263142 u |
| Formula | C20H16N2O |
| InChI | InChI=1S/C20H16N2O/c1-14-18(13-21)19(16-9-5-3-6-10-16)20(22(14)15(2)23)17-11-7-4-8-12-17/h3-12H,1-2H3 |
| InChIKey | RRXKUSGEQOZYQE-UHFFFAOYSA-N |
| SMILES | C=1(C(=C(N(C(=O)C)C1C1=CC=CC=C1)C)C#N)C1=CC=CC=C1 |