| SpectraBase Compound ID | 254TrwV48iL |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-3-4-6-9-16(2)23-19(21)13-12-18(20)22-15-14-17-10-7-5-8-11-17/h5,7-8,10-13,16H,3-4,6,9,14-15H2,1-2H3/b13-12+ |
| InChIKey | NAZVGKODDTWYIY-OUKQBFOZSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HE2fNUHLpxu |
|---|---|
| Name | Fumaric acid, 2-phenethyl hept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-3-4-6-9-16(2)23-19(21)13-12-18(20)22-15-14-17-10-7-5-8-11-17/h5,7-8,10-13,16H,3-4,6,9,14-15H2,1-2H3/b13-12+ |
| InChIKey | NAZVGKODDTWYIY-OUKQBFOZSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(\C=C\C(OC(C)CCCCC)=O)(OCCC1=CC=CC=C1)=O |