| SpectraBase Compound ID | LpWbboDGeSI |
|---|---|
| InChI | InChI=1S/C12H12IN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3 |
| InChIKey | CLGKGHWNVMDYQB-UHFFFAOYSA-N |
| Mol Weight | 297.14 g/mol |
| Molecular Formula | C12H12IN |
| Exact Mass | 297.001444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKWXIjWVhPE |
|---|---|
| Name | 1-(4-Iodophenyl)-2,5-dimethyl-1H-pyrrole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.001444390 u |
| Formula | C12H12IN |
| InChI | InChI=1S/C12H12IN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3 |
| InChIKey | CLGKGHWNVMDYQB-UHFFFAOYSA-N |
| Molecular Weight | 297.139 g/mol |
| SMILES | C=1(N(C(=CC1)C)C=1C=CC(=CC1)I)C |