| SpectraBase Compound ID | KY9WqbqFAnd |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-5-13-20-16(18)11-12-17(19)21-15(8-4)10-9-14(6-2)7-3/h11-12,14-15H,5-10,13H2,1-4H3/b12-11+ |
| InChIKey | PFOHKHINXFHDMT-VAWYXSNFSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KW4taPeha7f |
|---|---|
| Name | Fumaric acid, 6-ethyloct-3-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-5-13-20-16(18)11-12-17(19)21-15(8-4)10-9-14(6-2)7-3/h11-12,14-15H,5-10,13H2,1-4H3/b12-11+ |
| InChIKey | PFOHKHINXFHDMT-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OC(CCC(CC)CC)CC)=O)(OCCC)=O |