| SpectraBase Compound ID | LIQbGzwOKhZ |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-13(2)6-5-11-19-15(17)9-10-16(18)20-12-14-7-3-4-8-14/h9-10,13-14H,3-8,11-12H2,1-2H3/b10-9+ |
| InChIKey | AHJRJRCJWGLQGT-MDZDMXLPSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HzqWk4Z7m7d |
|---|---|
| Name | Fumaric acid, cyclopentylmethyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-13(2)6-5-11-19-15(17)9-10-16(18)20-12-14-7-3-4-8-14/h9-10,13-14H,3-8,11-12H2,1-2H3/b10-9+ |
| InChIKey | AHJRJRCJWGLQGT-MDZDMXLPSA-N |
| SMILES | C(\C=C\C(OCCCC(C)C)=O)(OCC1CCCC1)=O |