| SpectraBase Compound ID | 3qsw08m7KH8 |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-4-5-6-7-8-11-22-18(20)9-10-19(21)23-17-13-15(2)12-16(3)14-17/h9-10,15-17H,4-8,11-14H2,1-3H3/b10-9+ |
| InChIKey | HKWUMSBKUDAEHI-MDZDMXLPSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8PailDc9TM7 |
|---|---|
| Name | Fumaric acid, 3,5-dimethylcyclohexyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-4-5-6-7-8-11-22-18(20)9-10-19(21)23-17-13-15(2)12-16(3)14-17/h9-10,15-17H,4-8,11-14H2,1-3H3/b10-9+ |
| InChIKey | HKWUMSBKUDAEHI-MDZDMXLPSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | C(OC1CC(CC(C1)C)C)(\C=C\C(OCCCCCCC)=O)=O |