| SpectraBase Compound ID | 1tcNE9dtgIV |
|---|---|
| InChI | InChI=1S/C16H21N/c1-4-5-11-17-13(2)12-16(14(17)3)15-9-7-6-8-10-15/h6-10,12H,4-5,11H2,1-3H3 |
| InChIKey | VGPZDZRWEOKZMX-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 | 3t9ga0Nd1pk |
|---|---|
| Name | 1-Butyl-2,5-dimethyl-3-phenyl-pyrrole |
| 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/c1-4-5-11-17-13(2)12-16(14(17)3)15-9-7-6-8-10-15/h6-10,12H,4-5,11H2,1-3H3 |
| InChIKey | VGPZDZRWEOKZMX-UHFFFAOYSA-N |
| Molecular Weight | 227.351 g/mol |
| SMILES | C1(=C(N(CCCC)C(=C1)C)C)C1=CC=CC=C1 |