| SpectraBase Compound ID | DZSebgFLrx0 |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-4-6-8-9-11-15(3)21-17(19)13-12-16(18)20-14-10-7-5-2/h12-13,15H,4-11,14H2,1-3H3/b13-12+ |
| InChIKey | HLQPBSICCMGOCF-OUKQBFOZSA-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 | 6SzpljnWZZx |
|---|---|
| Name | Fumaric acid, 2-octyl pentyl 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/c1-4-6-8-9-11-15(3)21-17(19)13-12-16(18)20-14-10-7-5-2/h12-13,15H,4-11,14H2,1-3H3/b13-12+ |
| InChIKey | HLQPBSICCMGOCF-OUKQBFOZSA-N |
| SMILES | C(\C=C\C(OC(CCCCCC)C)=O)(OCCCCC)=O |