| SpectraBase Compound ID | 8FrBgnlNeBp |
|---|---|
| InChI | InChI=1S/C16H21N/c1-3-5-12-17-13-11-15(16(17)4-2)14-9-7-6-8-10-14/h6-11,13H,3-5,12H2,1-2H3 |
| InChIKey | DFZPHPFKJTUZNU-UHFFFAOYSA-N |
| Mol Weight | 227.35 g/mol |
| Molecular Formula | C16H21N |
| Exact Mass | 227.1674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqP1qe3sROP |
|---|---|
| Name | N-Butyl-2-ethyl-3-phenylpyrrole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.167399680 u |
| Formula | C16H21N |
| InChI | InChI=1S/C16H21N/c1-3-5-12-17-13-11-15(16(17)4-2)14-9-7-6-8-10-14/h6-11,13H,3-5,12H2,1-2H3 |
| InChIKey | DFZPHPFKJTUZNU-UHFFFAOYSA-N |
| Molecular Weight | 227.351 g/mol |
| SMILES | C1(=C(N(CCCC)C=C1)CC)C1=CC=CC=C1 |