| SpectraBase Compound ID | Knl1NvnqLyT |
|---|---|
| InChI | InChI=1S/C17H19NO4/c1-4-21-16(19)13-11(3)18-15(17(20)22-5-2)14(13)12-9-7-6-8-10-12/h6-10,18H,4-5H2,1-3H3 |
| InChIKey | WFCFVRPMQNZKLE-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 | 3Tt0YS7yzDG |
|---|---|
| Name | Diethyl 5-methyl-3-phenyl-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)13-11(3)18-15(17(20)22-5-2)14(13)12-9-7-6-8-10-12/h6-10,18H,4-5H2,1-3H3 |
| InChIKey | WFCFVRPMQNZKLE-UHFFFAOYSA-N |
| Molecular Weight | 301.342 g/mol |
| SMILES | C=1(NC(=C(C1C(=O)OCC)C1=CC=CC=C1)C(=O)OCC)C |