| SpectraBase Compound ID | mB6d3Has5I |
|---|---|
| InChI | InChI=1S/C13H21NO2/c1-5-7-8-11-9(3)12(10(4)14-11)13(15)16-6-2/h14H,5-8H2,1-4H3 |
| InChIKey | DNAWPUUUVUTLBY-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 | B75hkGcwygI |
|---|---|
| Name | 5-Butyl-2,4-dimethylpyrrole-3-carboxylic acid, ethyl ester |
| 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(10(4)14-11)13(15)16-6-2/h14H,5-8H2,1-4H3 |
| InChIKey | DNAWPUUUVUTLBY-UHFFFAOYSA-N |
| Molecular Weight | 223.316 g/mol |
| SMILES | N1C(=C(C(=C1CCCC)C)C(OCC)=O)C |