| SpectraBase Compound ID | 3g7ePDJOz9k |
|---|---|
| InChI | InChI=1S/C13H14O5/c1-3-17-12(14)8-9-13(15)18-11-6-4-10(16-2)5-7-11/h4-9H,3H2,1-2H3/b9-8+ |
| InChIKey | FBJOOAATRRPLJY-CMDGGOBGSA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C13H14O5 |
| Exact Mass | 250.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EkvLAWmY6a |
|---|---|
| Name | Fumaric acid, ethyl 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.084123546 u |
| Formula | C13H14O5 |
| InChI | InChI=1S/C13H14O5/c1-3-17-12(14)8-9-13(15)18-11-6-4-10(16-2)5-7-11/h4-9H,3H2,1-2H3/b9-8+ |
| InChIKey | FBJOOAATRRPLJY-CMDGGOBGSA-N |
| Molecular Weight | 250.250 g/mol |
| SMILES | C(\C=C\C(OC1=CC=C(OC)C=C1)=O)(OCC)=O |