| SpectraBase Compound ID | 85pSlRbV2zF |
|---|---|
| InChI | InChI=1S/C12H19NO2/c1-5-7-10-8(3)11(13-9(10)4)12(14)15-6-2/h13H,5-7H2,1-4H3 |
| InChIKey | FURNFZQCOQEXNH-UHFFFAOYSA-N |
| Mol Weight | 209.29 g/mol |
| Molecular Formula | C12H19NO2 |
| Exact Mass | 209.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eo4RXvZ21hk |
|---|---|
| Name | 3,5-Dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.141578854 u |
| Formula | C12H19NO2 |
| InChI | InChI=1S/C12H19NO2/c1-5-7-10-8(3)11(13-9(10)4)12(14)15-6-2/h13H,5-7H2,1-4H3 |
| InChIKey | FURNFZQCOQEXNH-UHFFFAOYSA-N |
| Molecular Weight | 209.289 g/mol |
| SMILES | C=1(NC(C)=C(C1C)CCC)C(=O)OCC |