| SpectraBase Compound ID | 2zoekYTjpUH |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-3-5-7-9-10-12-16-22-18(20)14-13-17(19)21-15-11-8-6-4-2/h6,8,13-14H,3-5,7,9-12,15-16H2,1-2H3/b8-6-,14-13+ |
| InChIKey | CSLQNKVIOMWFJK-INQIEHEISA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ltsdkfseLd |
|---|---|
| Name | Fumaric acid, cis-hex-3-enyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-3-5-7-9-10-12-16-22-18(20)14-13-17(19)21-15-11-8-6-4-2/h6,8,13-14H,3-5,7,9-12,15-16H2,1-2H3/b8-6-,14-13+ |
| InChIKey | CSLQNKVIOMWFJK-INQIEHEISA-N |
| SMILES | C(\C=C\C(OCCCCCCCC)=O)(OCC\C=C/CC)=O |