| SpectraBase Compound ID | 1lF2ok2Ve6y |
|---|---|
| InChI | InChI=1S/C15H23NO4/c1-4-11(14(17)19-5-2)7-8-12-9-10-13(16-12)15(18)20-6-3/h9-11,16H,4-8H2,1-3H3 |
| InChIKey | ATQDRHPZXQILFL-UHFFFAOYSA-N |
| Mol Weight | 281.35 g/mol |
| Molecular Formula | C15H23NO4 |
| Exact Mass | 281.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmpDNm4kgzd |
|---|---|
| Name | Ethyl 5-(3-(ethoxycarbonyl)pentyl)-1H-pyrrole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.162708221 u |
| Formula | C15H23NO4 |
| InChI | InChI=1S/C15H23NO4/c1-4-11(14(17)19-5-2)7-8-12-9-10-13(16-12)15(18)20-6-3/h9-11,16H,4-8H2,1-3H3 |
| InChIKey | ATQDRHPZXQILFL-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(CCC(CC)C(=O)OCC)N1)C(OCC)=O |