| SpectraBase Compound ID | DOukg30Rv9H |
|---|---|
| InChI | InChI=1S/C14H16O4/c1-3-9-17-13(15)7-8-14(16)18-12-6-4-5-11(2)10-12/h4-8,10H,3,9H2,1-2H3/b8-7+ |
| InChIKey | FAYDFCVLWOLNFV-BQYQJAHWSA-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 | 3s53JIZ6Isq |
|---|---|
| Name | Fumaric acid, 3-methylphenyl propyl 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/c1-3-9-17-13(15)7-8-14(16)18-12-6-4-5-11(2)10-12/h4-8,10H,3,9H2,1-2H3/b8-7+ |
| InChIKey | FAYDFCVLWOLNFV-BQYQJAHWSA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | C1=C(C=CC=C1C)OC(\C=C\C(=O)OCCC)=O |