| SpectraBase Compound ID | 94lKp7Q16tk |
|---|---|
| InChI | InChI=1S/C12H15NO5/c1-4-18-12(16)11-7(2)8(5-10(15)17-3)9(6-14)13-11/h6,13H,4-5H2,1-3H3 |
| InChIKey | INYJDSUUDMZUEW-UHFFFAOYSA-N |
| Mol Weight | 253.25 g/mol |
| Molecular Formula | C12H15NO5 |
| Exact Mass | 253.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3CKONLH6Lzv |
|---|---|
| Name | Ethyl 5-formyl-4-(methoxycarbonyl)methyl-3-methyl-1H-pyrrole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.095022582 u |
| Formula | C12H15NO5 |
| InChI | InChI=1S/C12H15NO5/c1-4-18-12(16)11-7(2)8(5-10(15)17-3)9(6-14)13-11/h6,13H,4-5H2,1-3H3 |
| InChIKey | INYJDSUUDMZUEW-UHFFFAOYSA-N |
| Molecular Weight | 253.254 g/mol |
| SMILES | C=1(NC(C=O)=C(C1C)CC(=O)OC)C(=O)OCC |