| SpectraBase Compound ID | CCF2jlEOoHi |
|---|---|
| InChI | InChI=1S/C17H26O4/c1-2-3-4-8-13-20-16(18)11-12-17(19)21-14-15-9-6-5-7-10-15/h5-6,11-12,15H,2-4,7-10,13-14H2,1H3/b12-11+ |
| InChIKey | YYMKLXJITDCKCM-VAWYXSNFSA-N |
| Mol Weight | 294.39 g/mol |
| Molecular Formula | C17H26O4 |
| Exact Mass | 294.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ISCwueSLWRY |
|---|---|
| Name | Fumaric acid, cyclohex-3-enylmethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.183109313 u |
| Formula | C17H26O4 |
| InChI | InChI=1S/C17H26O4/c1-2-3-4-8-13-20-16(18)11-12-17(19)21-14-15-9-6-5-7-10-15/h5-6,11-12,15H,2-4,7-10,13-14H2,1H3/b12-11+ |
| InChIKey | YYMKLXJITDCKCM-VAWYXSNFSA-N |
| SMILES | C1=CCCC(C1)COC(\C=C\C(OCCCCCC)=O)=O |