| SpectraBase Compound ID | IGfyxfFMN2r |
|---|---|
| InChI | InChI=1S/C18H28O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h11-12,15-16H,1-10,13-14H2/b12-11+ |
| InChIKey | RBVGPBIJQVLDFG-VAWYXSNFSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C18H28O4 |
| Exact Mass | 308.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ArS45b1DFc |
|---|---|
| Name | Fumaric acid, dicyclohexylmethyl 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/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h11-12,15-16H,1-10,13-14H2/b12-11+ |
| InChIKey | RBVGPBIJQVLDFG-VAWYXSNFSA-N |
| Molecular Weight | 308.418 g/mol |
| SMILES | C1CCC(CC1)COC(\C=C\C(OCC1CCCCC1)=O)=O |