| SpectraBase Compound ID | EeUA1naPG9V |
|---|---|
| InChI | InChI=1S/C13H14O4/c1-2-10-16-12(14)8-9-13(15)17-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+ |
| InChIKey | ICSIOBUZJYBCHQ-CMDGGOBGSA-N |
| Mol Weight | 234.25 g/mol |
| Molecular Formula | C13H14O4 |
| Exact Mass | 234.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3u6cbAGs0WB |
|---|---|
| Name | Fumaric acid, phenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.089208927 u |
| Formula | C13H14O4 |
| InChI | InChI=1S/C13H14O4/c1-2-10-16-12(14)8-9-13(15)17-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+ |
| InChIKey | ICSIOBUZJYBCHQ-CMDGGOBGSA-N |
| Molecular Weight | 234.251 g/mol |
| SMILES | C(\C=C\C(OCCC)=O)(OC1=CC=CC=C1)=O |