| SpectraBase Compound ID | xpOIO6PKBZ |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-2-15-11(13)8-9-12(14)16-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+ |
| InChIKey | RLXMZOXFMUHJIZ-CMDGGOBGSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fxfsgI575W |
|---|---|
| Name | Fumaric acid, ethyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-2-15-11(13)8-9-12(14)16-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+ |
| InChIKey | RLXMZOXFMUHJIZ-CMDGGOBGSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C1=CC=C(C=C1)OC(\C=C\C(OCC)=O)=O |