| SpectraBase Compound ID | KB7UeuL7cRT |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-4-6-8-10-12-16(3)22-18(20)14-13-17(19)21-15-11-9-7-5-2/h13-14,16H,4-12,15H2,1-3H3/b14-13+ |
| InChIKey | NIEIVENHRQWBLQ-BUHFOSPRSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ijgdAkoDRK |
|---|---|
| Name | Fumaric acid, hexyl 2-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-4-6-8-10-12-16(3)22-18(20)14-13-17(19)21-15-11-9-7-5-2/h13-14,16H,4-12,15H2,1-3H3/b14-13+ |
| InChIKey | NIEIVENHRQWBLQ-BUHFOSPRSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(\C=C\C(OC(CCCCCC)C)=O)(OCCCCCC)=O |