| SpectraBase Compound ID | 5kBCg12SGdc |
|---|---|
| InChI | InChI=1S/C13H21NO2/c1-5-7-8-11-9(3)12(14-10(11)4)13(15)16-6-2/h14H,5-8H2,1-4H3 |
| InChIKey | STNGULMWFPMOCE-UHFFFAOYSA-N |
| Mol Weight | 223.32 g/mol |
| Molecular Formula | C13H21NO2 |
| Exact Mass | 223.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AXs9oZpHwUo |
|---|---|
| Name | Ethyl 4-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.157228918 u |
| Formula | C13H21NO2 |
| InChI | InChI=1S/C13H21NO2/c1-5-7-8-11-9(3)12(14-10(11)4)13(15)16-6-2/h14H,5-8H2,1-4H3 |
| InChIKey | STNGULMWFPMOCE-UHFFFAOYSA-N |
| Molecular Weight | 223.316 g/mol |
| SMILES | C=1(NC(=C(C1CCCC)C)C(=O)OCC)C |