| SpectraBase Compound ID | 2nPX7SmvlH3 |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-3-5-7-9-11-13-17-23-19(21)15-14-18(20)22-16-12-10-8-6-4-2/h14-15H,3-13,16-17H2,1-2H3/b15-14+ |
| InChIKey | CQUPDELESAXYAJ-CCEZHUSRSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C19H34O4 |
| Exact Mass | 326.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8F8nfWYli92 |
|---|---|
| Name | Fumaric acid, heptyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.245709571 u |
| Formula | C19H34O4 |
| InChI | InChI=1S/C19H34O4/c1-3-5-7-9-11-13-17-23-19(21)15-14-18(20)22-16-12-10-8-6-4-2/h14-15H,3-13,16-17H2,1-2H3/b15-14+ |
| InChIKey | CQUPDELESAXYAJ-CCEZHUSRSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(CCCOC(\C=C\C(OCCCCCCCC)=O)=O)CCC |