| SpectraBase Compound ID | II0IUNkNJ91 |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-4-21-15(18)13-10-17(12-8-6-5-7-9-12)11(2)14(13)16(19)20-3/h10,12H,4-9H2,1-3H3 |
| InChIKey | LULXBVZYMAGJPN-UHFFFAOYSA-N |
| Mol Weight | 293.36 g/mol |
| Molecular Formula | C16H23NO4 |
| Exact Mass | 293.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5R5y61th8CC |
|---|---|
| Name | 4-Ethyl 3-methyl 1-cyclohexyl-2-methyl-1H-pyrrole-3,4-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.162708221 u |
| Formula | C16H23NO4 |
| InChI | InChI=1S/C16H23NO4/c1-4-21-15(18)13-10-17(12-8-6-5-7-9-12)11(2)14(13)16(19)20-3/h10,12H,4-9H2,1-3H3 |
| InChIKey | LULXBVZYMAGJPN-UHFFFAOYSA-N |
| SMILES | C=1(N(C=C(C1C(=O)OC)C(=O)OCC)C1CCCCC1)C |