| SpectraBase Compound ID | KFPIgZjzspZ |
|---|---|
| InChI | InChI=1S/C11H11NO4/c1-15-10(13)9(11(14)16-2)6-8-4-3-5-12-7-8/h3-7H,1-2H3 |
| InChIKey | VDFGBWQSBHQBBU-UHFFFAOYSA-N |
| Mol Weight | 221.21 g/mol |
| Molecular Formula | C11H11NO4 |
| Exact Mass | 221.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G37FHeFzqmD |
|---|---|
| Name | 1,3-Dimethyl 2-(pyridin-3-ylmethylidene)propanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.068807834 u |
| Formula | C11H11NO4 |
| InChI | InChI=1S/C11H11NO4/c1-15-10(13)9(11(14)16-2)6-8-4-3-5-12-7-8/h3-7H,1-2H3 |
| InChIKey | VDFGBWQSBHQBBU-UHFFFAOYSA-N |
| Molecular Weight | 221.212 g/mol |
| SMILES | C1=CC=C(C=N1)C=C(C(OC)=O)C(OC)=O |