| SpectraBase Compound ID | 7TlgqSdxXqB |
|---|---|
| InChI | InChI=1S/C13H14O4/c1-3-16-12(14)8-9-13(15)17-11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3/b9-8+ |
| InChIKey | WVKPAFBPKVBUKZ-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 | Hj17mwYZbQI |
|---|---|
| Name | Fumaric acid, ethyl 2-methylphenyl 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/c1-3-16-12(14)8-9-13(15)17-11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3/b9-8+ |
| InChIKey | WVKPAFBPKVBUKZ-CMDGGOBGSA-N |
| Molecular Weight | 234.251 g/mol |
| SMILES | CCOC(\C=C\C(OC=1C(C)=CC=CC1)=O)=O |