| SpectraBase Compound ID | ByaNKUW0v6n |
|---|---|
| InChI | InChI=1S/C19H19N/c1-15-13-19(18-11-7-4-8-12-18)20(16(15)2)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3 |
| InChIKey | VEMTXHNSKFRJOJ-UHFFFAOYSA-N |
| Mol Weight | 261.37 g/mol |
| Molecular Formula | C19H19N |
| Exact Mass | 261.15175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HVQ2YUIwX5C |
|---|---|
| Name | 1-Benzyl-2,3-dimethyl-5-phenyl-1H-pyrrole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.151749616 u |
| Formula | C19H19N |
| InChI | InChI=1S/C19H19N/c1-15-13-19(18-11-7-4-8-12-18)20(16(15)2)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3 |
| InChIKey | VEMTXHNSKFRJOJ-UHFFFAOYSA-N |
| Molecular Weight | 261.368 g/mol |
| SMILES | C=1(N(C(=CC1C)C=1C=CC=CC1)CC=1C=CC=CC1)C |