| SpectraBase Compound ID | UA08MsDtGx |
|---|---|
| InChI | InChI=1S/C11H11N/c1-9-7-8-12-11(9)10-5-3-2-4-6-10/h2-8,12H,1H3 |
| InChIKey | PXJOITICSNLQRM-UHFFFAOYSA-N |
| Mol Weight | 157.22 g/mol |
| Molecular Formula | C11H11N |
| Exact Mass | 157.089149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GAtqhW1wKgY |
|---|---|
| Name | 3-Methyl-2-phenyl-1H-pyrrole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.089149358 u |
| Formula | C11H11N |
| InChI | InChI=1S/C11H11N/c1-9-7-8-12-11(9)10-5-3-2-4-6-10/h2-8,12H,1H3 |
| InChIKey | PXJOITICSNLQRM-UHFFFAOYSA-N |
| Molecular Weight | 157.216 g/mol |
| SMILES | C=1(NC=CC1C)C=1C=CC=CC1 |