| SpectraBase Compound ID | 2TuxFDzQ2kz |
|---|---|
| InChI | InChI=1S/C14H16O6/c1-4-19-13(15)7-8-14(16)20-10-5-6-11(17-2)12(9-10)18-3/h5-9H,4H2,1-3H3/b8-7+ |
| InChIKey | UHIQRBXLMGNTQZ-BQYQJAHWSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C14H16O6 |
| Exact Mass | 280.094688 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 53nSZ2DakV5 |
|---|---|
| Name | Fumaric acid, ethyl 3,4-dimethoxyphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.094688229 u |
| Formula | C14H16O6 |
| InChI | InChI=1S/C14H16O6/c1-4-19-13(15)7-8-14(16)20-10-5-6-11(17-2)12(9-10)18-3/h5-9H,4H2,1-3H3/b8-7+ |
| InChIKey | UHIQRBXLMGNTQZ-BQYQJAHWSA-N |
| SMILES | COC1=CC(OC(\C=C\C(OCC)=O)=O)=CC=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832306 |