| SpectraBase Compound ID | JAMFA7RUBUs |
|---|---|
| InChI | InChI=1S/C12H13NO/c1-9-7-12(13-8-9)10-3-5-11(14-2)6-4-10/h3-8,13H,1-2H3 |
| InChIKey | CFRSGJQPDCJREA-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C12H13NO |
| Exact Mass | 187.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zSrg2cEo65 |
|---|---|
| Name | 2-(4-Methoxyphenyl)4-methyl-1H-pyrrole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.099714042 u |
| Formula | C12H13NO |
| InChI | InChI=1S/C12H13NO/c1-9-7-12(13-8-9)10-3-5-11(14-2)6-4-10/h3-8,13H,1-2H3 |
| InChIKey | CFRSGJQPDCJREA-UHFFFAOYSA-N |
| Molecular Weight | 187.242 g/mol |
| SMILES | C1=CC(=CC=C1C=1NC=C(C1)C)OC |