| SpectraBase Compound ID | JGltsXdcQjj |
|---|---|
| InChI | InChI=1S/C12H13NO4/c1-8-10(12(15)16-2)6-11(14)13(8)7-9-4-3-5-17-9/h3-5H,6-7H2,1-2H3 |
| InChIKey | HNYYJPNLHIOQDO-UHFFFAOYSA-N |
| Mol Weight | 235.24 g/mol |
| Molecular Formula | C12H13NO4 |
| Exact Mass | 235.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K699A6ZLQDn |
|---|---|
| Name | Methyl 1-(2-furylmethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.084457899 u |
| Formula | C12H13NO4 |
| InChI | InChI=1S/C12H13NO4/c1-8-10(12(15)16-2)6-11(14)13(8)7-9-4-3-5-17-9/h3-5H,6-7H2,1-2H3 |
| InChIKey | HNYYJPNLHIOQDO-UHFFFAOYSA-N |
| Molecular Weight | 235.239 g/mol |
| SMILES | C1(=C(N(CC=2OC=CC2)C(C1)=O)C)C(=O)OC |