| SpectraBase Compound ID | HzEdMyCZhUl |
|---|---|
| InChI | InChI=1S/C14H16O4/c1-11(2)10-17-13(15)8-9-14(16)18-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+ |
| InChIKey | RDVLXTUIMKJDQX-CMDGGOBGSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C14H16O4 |
| Exact Mass | 248.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQCy6a6K63T |
|---|---|
| Name | Fumaric acid, isobutyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.104858991 u |
| Formula | C14H16O4 |
| InChI | InChI=1S/C14H16O4/c1-11(2)10-17-13(15)8-9-14(16)18-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+ |
| InChIKey | RDVLXTUIMKJDQX-CMDGGOBGSA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | CC(COC(\C=C\C(OC1=CC=CC=C1)=O)=O)C |