| SpectraBase Compound ID | J86EpCuBcbR |
|---|---|
| InChI | InChI=1S/C18H28O4/c1-13-7-3-5-9-15(13)21-17(19)11-12-18(20)22-16-10-6-4-8-14(16)2/h11-16H,3-10H2,1-2H3/b12-11+ |
| InChIKey | NWWYCJMFHSHLSB-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 | 8Jbz5RROZlj |
|---|---|
| Name | Fumaric acid, di(2-methylcyclohexyl) 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/c1-13-7-3-5-9-15(13)21-17(19)11-12-18(20)22-16-10-6-4-8-14(16)2/h11-16H,3-10H2,1-2H3/b12-11+ |
| InChIKey | NWWYCJMFHSHLSB-VAWYXSNFSA-N |
| Molecular Weight | 308.418 g/mol |
| SMILES | CC1C(CCCC1)OC(\C=C\C(OC1C(C)CCCC1)=O)=O |