| SpectraBase Compound ID | fvyFmVtTyw |
|---|---|
| InChI | InChI=1S/C15H18O4/c1-3-4-10-18-14(16)8-9-15(17)19-13-7-5-6-12(2)11-13/h5-9,11H,3-4,10H2,1-2H3/b9-8+ |
| InChIKey | LVEPELIMXJAARL-CMDGGOBGSA-N |
| Mol Weight | 262.3 g/mol |
| Molecular Formula | C15H18O4 |
| Exact Mass | 262.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CF8c1OgMT5p |
|---|---|
| Name | Fumaric acid, butyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.120509056 u |
| Formula | C15H18O4 |
| InChI | InChI=1S/C15H18O4/c1-3-4-10-18-14(16)8-9-15(17)19-13-7-5-6-12(2)11-13/h5-9,11H,3-4,10H2,1-2H3/b9-8+ |
| InChIKey | LVEPELIMXJAARL-CMDGGOBGSA-N |
| Molecular Weight | 262.305 g/mol |
| SMILES | C1(=CC(=CC=C1)C)OC(\C=C\C(OCCCC)=O)=O |