| SpectraBase Compound ID | JIjUdDk6LpP |
|---|---|
| InChI | InChI=1S/C13H15N3O2.CH3I/c1-14(2)10-11-6-5-9-15(11)12-7-3-4-8-13(12)16(17)18;1-2/h3-9H,10H2,1-2H3;1H3 |
| InChIKey | VNURJPBYQKIRCC-UHFFFAOYSA-N |
| Mol Weight | 387.22 g/mol |
| Molecular Formula | C14H18IN3O2 |
| Exact Mass | 387.044372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgO9jBGEZPa |
|---|---|
| Name | 1-(2-Nitrophenyl)-2-(dimethylamino)methylpyrrole methiodide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.044371830 u |
| Formula | C14H18IN3O2 |
| InChI | InChI=1S/C13H15N3O2.CH3I/c1-14(2)10-11-6-5-9-15(11)12-7-3-4-8-13(12)16(17)18;1-2/h3-9H,10H2,1-2H3;1H3 |
| InChIKey | VNURJPBYQKIRCC-UHFFFAOYSA-N |
| Molecular Weight | 387.221 g/mol |
| SMILES | CI.C=1(N(C=CC1)C=1C(=CC=CC1)N(=O)=O)CN(C)C |