| SpectraBase Compound ID | If9jsnmhlGB |
|---|---|
| InChI | InChI=1S/C14H16O4/c1-2-3-11-17-13(15)9-10-14(16)18-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9+ |
| InChIKey | XKOZGZRYPKGEBM-MDZDMXLPSA-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 | FwoSPOWyq1O |
|---|---|
| Name | Fumaric acid, butyl 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/c1-2-3-11-17-13(15)9-10-14(16)18-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9+ |
| InChIKey | XKOZGZRYPKGEBM-MDZDMXLPSA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | CCCCOC(\C=C\C(OC1=CC=CC=C1)=O)=O |