| SpectraBase Compound ID | 12vCJbeTP6d |
|---|---|
| InChI | InChI=1S/C15H18O4/c1-2-18-14(16)10-11-15(17)19-12-6-9-13-7-4-3-5-8-13/h3-5,7-8,10-11H,2,6,9,12H2,1H3/b11-10+ |
| InChIKey | OJADOFHSYSSQFR-ZHACJKMWSA-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 | K8NxlSJNmlx |
|---|---|
| Name | Fumaric acid, ethyl 3-phenylpropyl 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/c1-2-18-14(16)10-11-15(17)19-12-6-9-13-7-4-3-5-8-13/h3-5,7-8,10-11H,2,6,9,12H2,1H3/b11-10+ |
| InChIKey | OJADOFHSYSSQFR-ZHACJKMWSA-N |
| Molecular Weight | 262.305 g/mol |
| SMILES | CCOC(\C=C\C(OCCCC1=CC=CC=C1)=O)=O |