| SpectraBase Compound ID | DfJ7rd32RCC |
|---|---|
| InChI | InChI=1S/C15H18O4/c1-2-11-18-14(16)8-9-15(17)19-12-10-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3/b9-8+ |
| InChIKey | ZIUDVECQRNWDNU-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 | FPQQd3NP1vo |
|---|---|
| Name | Fumaric acid, 2-phenylethyl propyl 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/c1-2-11-18-14(16)8-9-15(17)19-12-10-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3/b9-8+ |
| InChIKey | ZIUDVECQRNWDNU-CMDGGOBGSA-N |
| Molecular Weight | 262.305 g/mol |
| SMILES | C(OCCC1=CC=CC=C1)(\C=C\C(OCCC)=O)=O |