| SpectraBase Compound ID | DiTdEVIM83g |
|---|---|
| InChI | InChI=1S/C13H21NO2/c1-5-8-11-10(6-2)9(4)14-12(11)13(15)16-7-3/h14H,5-8H2,1-4H3 |
| InChIKey | GOEFHFJXFIAUOT-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 | 2ukSepDxNL3 |
|---|---|
| Name | 4-Ethyl-5-methyl-3-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 | 223.157228918 u |
| Formula | C13H21NO2 |
| InChI | InChI=1S/C13H21NO2/c1-5-8-11-10(6-2)9(4)14-12(11)13(15)16-7-3/h14H,5-8H2,1-4H3 |
| InChIKey | GOEFHFJXFIAUOT-UHFFFAOYSA-N |
| Molecular Weight | 223.316 g/mol |
| SMILES | C=1(NC(C)=C(C1CCC)CC)C(=O)OCC |