| SpectraBase Compound ID | CSh5cHuVwxC |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-16(2)8-6-14-22-18(20)12-13-19(21)23-15-7-11-17-9-4-3-5-10-17/h3-5,9-10,12-13,16H,6-8,11,14-15H2,1-2H3/b13-12+ |
| InChIKey | BGBSEVWZEXEUOD-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 | KodN6SfksG3 |
|---|---|
| Name | Fumaric acid, isohexyl 3-phenylpropyl 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/c1-16(2)8-6-14-22-18(20)12-13-19(21)23-15-7-11-17-9-4-3-5-10-17/h3-5,9-10,12-13,16H,6-8,11,14-15H2,1-2H3/b13-12+ |
| InChIKey | BGBSEVWZEXEUOD-OUKQBFOZSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(\C=C\C(OCCCC1=CC=CC=C1)=O)(OCCCC(C)C)=O |