| SpectraBase Compound ID | DmIFnpfMC4w |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-3-16-11(14)10(12(15)17-4-2)8-9-6-5-7-13-9/h5-8,13H,3-4H2,1-2H3 |
| InChIKey | ACBDEYMKVQPVAB-UHFFFAOYSA-N |
| Mol Weight | 237.25 g/mol |
| Molecular Formula | C12H15NO4 |
| Exact Mass | 237.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1GGIMmCzh58 |
|---|---|
| Name | 2-(1H-Pyrrol-2-ylmethylene)malonic acid, diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.100107963 u |
| Formula | C12H15NO4 |
| InChI | InChI=1S/C12H15NO4/c1-3-16-11(14)10(12(15)17-4-2)8-9-6-5-7-13-9/h5-8,13H,3-4H2,1-2H3 |
| InChIKey | ACBDEYMKVQPVAB-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | C(=O)(C(C(=O)OCC)=CC=1NC=CC1)OCC |