| SpectraBase Compound ID | 357DJZUjDpl |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-2-3-4-7-12-19-15(17)10-11-16(18)20-13-14-8-5-6-9-14/h10-11,14H,2-9,12-13H2,1H3/b11-10+ |
| InChIKey | JHVPPQHZWBFKTJ-ZHACJKMWSA-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 | seG1KXXa44 |
|---|---|
| Name | Fumaric acid, cyclopentylmethyl hexyl 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/c1-2-3-4-7-12-19-15(17)10-11-16(18)20-13-14-8-5-6-9-14/h10-11,14H,2-9,12-13H2,1H3/b11-10+ |
| InChIKey | JHVPPQHZWBFKTJ-ZHACJKMWSA-N |
| SMILES | C(\C=C\C(OCC1CCCC1)=O)(OCCCCCC)=O |