| SpectraBase Compound ID | JJyssQly6Zy |
|---|---|
| InChI | InChI=1S/C18H28O4/c1-3-4-5-8-13-21-17(19)11-12-18(20)22-14-16-10-7-6-9-15(16)2/h11-12H,3-10,13-14H2,1-2H3/b12-11+ |
| InChIKey | RGWWHGRSCISONH-VAWYXSNFSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C18H28O4 |
| Exact Mass | 308.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DH7txBOu57m |
|---|---|
| Name | Fumaric acid, hexyl 2-methylcyclohex-1-enylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.198759378 u |
| Formula | C18H28O4 |
| InChI | InChI=1S/C18H28O4/c1-3-4-5-8-13-21-17(19)11-12-18(20)22-14-16-10-7-6-9-15(16)2/h11-12H,3-10,13-14H2,1-2H3/b12-11+ |
| InChIKey | RGWWHGRSCISONH-VAWYXSNFSA-N |
| Molecular Weight | 308.418 g/mol |
| SMILES | C1CC(=C(CC1)COC(\C=C\C(OCCCCCC)=O)=O)C |