| SpectraBase Compound ID | 7UsKYrjpfRB |
|---|---|
| InChI | InChI=1S/C17H19NO4/c1-4-21-16(19)14-11(2)15(18-12(14)3)17(20)22-10-13-8-6-5-7-9-13/h5-9,18H,4,10H2,1-3H3 |
| InChIKey | GPUIVIKFEHKBON-UHFFFAOYSA-N |
| Mol Weight | 301.34 g/mol |
| Molecular Formula | C17H19NO4 |
| Exact Mass | 301.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3NBxpgOzHB |
|---|---|
| Name | 2-Benzyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.131408092 u |
| Formula | C17H19NO4 |
| InChI | InChI=1S/C17H19NO4/c1-4-21-16(19)14-11(2)15(18-12(14)3)17(20)22-10-13-8-6-5-7-9-13/h5-9,18H,4,10H2,1-3H3 |
| InChIKey | GPUIVIKFEHKBON-UHFFFAOYSA-N |
| SMILES | N1C(=C(C(=C1C)C(=O)OCC)C)C(OCC1=CC=CC=C1)=O |