| SpectraBase Compound ID | FOofryfkn1e |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-3-5-6-9-15-22-18(20)13-14-19(21)23-17-12-8-7-11-16(17)10-4-2/h7-8,11-14H,3-6,9-10,15H2,1-2H3/b14-13+ |
| InChIKey | GUXZNDAAULJQLK-BUHFOSPRSA-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 | B0wCjM501iI |
|---|---|
| Name | Fumaric acid, hexyl 2-propylphenyl 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/c1-3-5-6-9-15-22-18(20)13-14-19(21)23-17-12-8-7-11-16(17)10-4-2/h7-8,11-14H,3-6,9-10,15H2,1-2H3/b14-13+ |
| InChIKey | GUXZNDAAULJQLK-BUHFOSPRSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | CCCC1=C(OC(\C=C\C(OCCCCCC)=O)=O)C=CC=C1 |