| SpectraBase Compound ID | LB0srKW3CM3 |
|---|---|
| InChI | InChI=1S/C20H21N/c1-17-14-15-20(19-12-6-3-7-13-19)21(17)16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-15H,8,11,16H2,1H3 |
| InChIKey | ITRXMHYGKLEQNS-UHFFFAOYSA-N |
| Mol Weight | 275.39 g/mol |
| Molecular Formula | C20H21N |
| Exact Mass | 275.1674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7L6wjVaXxWj |
|---|---|
| Name | 2-Methyl-5-phenyl-1-(3-phenylpropyl)-1H-pyrrole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.167399680 u |
| Formula | C20H21N |
| InChI | InChI=1S/C20H21N/c1-17-14-15-20(19-12-6-3-7-13-19)21(17)16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-15H,8,11,16H2,1H3 |
| InChIKey | ITRXMHYGKLEQNS-UHFFFAOYSA-N |
| SMILES | C=1(N(C(=CC1)C)CCCC1=CC=CC=C1)C=1C=CC=CC1 |