| SpectraBase Compound ID | 9o5Ubo9sfuv |
|---|---|
| InChI | InChI=1S/C12H13N/c1-9-3-5-11(6-4-9)12-10(2)7-8-13-12/h3-8,13H,1-2H3 |
| InChIKey | UITMRIIDORSOBY-UHFFFAOYSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C12H13N |
| Exact Mass | 171.104799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KgskO8lqMuk |
|---|---|
| Name | 3-Methyl-2-(p-tolyl)-1H-pyrrole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.104799423 u |
| Formula | C12H13N |
| InChI | InChI=1S/C12H13N/c1-9-3-5-11(6-4-9)12-10(2)7-8-13-12/h3-8,13H,1-2H3 |
| InChIKey | UITMRIIDORSOBY-UHFFFAOYSA-N |
| Molecular Weight | 171.243 g/mol |
| SMILES | C=1(NC=CC1C)C=1C=CC(=CC1)C |