| SpectraBase Compound ID | 1g4qfw6SbvA |
|---|---|
| InChI | InChI=1S/C18H17N/c1-14-8-11-17(12-9-14)19-15(2)10-13-18(19)16-6-4-3-5-7-16/h3-13H,1-2H3 |
| InChIKey | UZSOXETXRULSKC-UHFFFAOYSA-N |
| Mol Weight | 247.34 g/mol |
| Molecular Formula | C18H17N |
| Exact Mass | 247.1361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FLHrk8HDu52 |
|---|---|
| Name | 2-Methyl-5-phenyl-1-p-tolyl-1H-pyrrole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.136099551 u |
| Formula | C18H17N |
| InChI | InChI=1S/C18H17N/c1-14-8-11-17(12-9-14)19-15(2)10-13-18(19)16-6-4-3-5-7-16/h3-13H,1-2H3 |
| InChIKey | UZSOXETXRULSKC-UHFFFAOYSA-N |
| Molecular Weight | 247.341 g/mol |
| SMILES | C=1(N(C(=CC1)C)C1=CC=C(C=C1)C)C1=CC=CC=C1 |