| SpectraBase Compound ID | K2HsAKJSXia |
|---|---|
| InChI | InChI=1S/C15H18O5/c1-4-18-14(16)9-10-15(17)20-13-8-6-5-7-12(13)19-11(2)3/h5-11H,4H2,1-3H3/b10-9+ |
| InChIKey | PBOLIXOBELWXGR-MDZDMXLPSA-N |
| Mol Weight | 278.3 g/mol |
| Molecular Formula | C15H18O5 |
| Exact Mass | 278.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77LisLcyu9y |
|---|---|
| Name | Fumaric acid, ethyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.115423675 u |
| Formula | C15H18O5 |
| InChI | InChI=1S/C15H18O5/c1-4-18-14(16)9-10-15(17)20-13-8-6-5-7-12(13)19-11(2)3/h5-11H,4H2,1-3H3/b10-9+ |
| InChIKey | PBOLIXOBELWXGR-MDZDMXLPSA-N |
| SMILES | C(\C=C\C(OCC)=O)(OC=1C(OC(C)C)=CC=CC1)=O |