| SpectraBase Compound ID | 54L9OaVXAwP |
|---|---|
| InChI | InChI=1S/C12H13N/c1-9-8-10(2)13-12(9)11-6-4-3-5-7-11/h3-8,13H,1-2H3 |
| InChIKey | TWPJGSLVOKTKDT-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 | G0qCYCKZYPj |
|---|---|
| Name | 1H-Pyrrole, 3,5-dimethyl-2-phenyl- |
| 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/c1-9-8-10(2)13-12(9)11-6-4-3-5-7-11/h3-8,13H,1-2H3 |
| InChIKey | TWPJGSLVOKTKDT-UHFFFAOYSA-N |
| Molecular Weight | 171.243 g/mol |
| SMILES | C1=CC=CC(=C1)C1=C(C=C(C)N1)C |