| SpectraBase Compound ID | HPQHcryX66w |
|---|---|
| InChI | InChI=1S/C18H31ClO4/c1-2-3-4-10-15-22-17(20)12-13-18(21)23-16-11-8-6-5-7-9-14-19/h12-13H,2-11,14-16H2,1H3/b13-12+ |
| InChIKey | FXMZBPMEEOHGHL-OUKQBFOZSA-N |
| Mol Weight | 346.9 g/mol |
| Molecular Formula | C18H31ClO4 |
| Exact Mass | 346.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESlG1Hift2A |
|---|---|
| Name | Fumaric acid, 8-chlorooctyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.191087174 u |
| Formula | C18H31ClO4 |
| InChI | InChI=1S/C18H31ClO4/c1-2-3-4-10-15-22-17(20)12-13-18(21)23-16-11-8-6-5-7-9-14-19/h12-13H,2-11,14-16H2,1H3/b13-12+ |
| InChIKey | FXMZBPMEEOHGHL-OUKQBFOZSA-N |
| Molecular Weight | 346.895 g/mol |
| SMILES | C(\C=C\C(OCCCCCC)=O)(OCCCCCCCCCl)=O |