| SpectraBase Compound ID | CJ3Ih3DfVtp |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-5-7-9-11-13-17(4)23-19(21)15-14-18(20)22-16(3)12-10-8-6-2/h14-17H,5-13H2,1-4H3/b15-14+ |
| InChIKey | DJMVHNADFLNVJF-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 | 1vsFLXIfiPr |
|---|---|
| Name | Fumaric acid, 2-octyl hept-2-yl 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/c1-5-7-9-11-13-17(4)23-19(21)15-14-18(20)22-16(3)12-10-8-6-2/h14-17H,5-13H2,1-4H3/b15-14+ |
| InChIKey | DJMVHNADFLNVJF-CCEZHUSRSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(\C=C\C(OC(C)CCCCC)=O)(OC(CCCCCC)C)=O |