| SpectraBase Compound ID | 2AAediOh8jN |
|---|---|
| InChI | InChI=1S/C19H23NO4/c1-5-23-18(21)16-13(3)20(12-15-10-8-7-9-11-15)14(4)17(16)19(22)24-6-2/h7-11H,5-6,12H2,1-4H3 |
| InChIKey | GMEGFVNSWRYODF-UHFFFAOYSA-N |
| Mol Weight | 329.4 g/mol |
| Molecular Formula | C19H23NO4 |
| Exact Mass | 329.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EzPXYlaev0b |
|---|---|
| Name | Diethyl 1-benzyl-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.162708221 u |
| Formula | C19H23NO4 |
| InChI | InChI=1S/C19H23NO4/c1-5-23-18(21)16-13(3)20(12-15-10-8-7-9-11-15)14(4)17(16)19(22)24-6-2/h7-11H,5-6,12H2,1-4H3 |
| InChIKey | GMEGFVNSWRYODF-UHFFFAOYSA-N |
| Molecular Weight | 329.396 g/mol |
| SMILES | C1(C)=C(C(C(OCC)=O)=C(C)N1CC=1C=CC=CC1)C(OCC)=O |