| SpectraBase Compound ID | G4Co7Kw8BMg |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-4-6-8-9-10-12-16-22-18(20)14-15-19(21)23-17(3)13-11-7-5-2/h14-15,17H,4-13,16H2,1-3H3/b15-14+ |
| InChIKey | VSCOHBUBMAOPTC-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 | 17D5E6gsjOn |
|---|---|
| Name | Fumaric acid, 2-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/c1-4-6-8-9-10-12-16-22-18(20)14-15-19(21)23-17(3)13-11-7-5-2/h14-15,17H,4-13,16H2,1-3H3/b15-14+ |
| InChIKey | VSCOHBUBMAOPTC-CCEZHUSRSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(OC(C)CCCCC)(\C=C\C(OCCCCCCCC)=O)=O |