| SpectraBase Compound ID | 8Z0LMZonsIh |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-3-5-12-17(9-4-2)23-19(21)14-13-18(20)22-15-16-10-7-6-8-11-16/h13-14,16-17H,3-12,15H2,1-2H3/b14-13+ |
| InChIKey | NPENSVNRKVAMOR-BUHFOSPRSA-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 | KUxCULlr0oS |
|---|---|
| Name | Fumaric acid, 4-octyl cyclohexylmethyl 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/c1-3-5-12-17(9-4-2)23-19(21)14-13-18(20)22-15-16-10-7-6-8-11-16/h13-14,16-17H,3-12,15H2,1-2H3/b14-13+ |
| InChIKey | NPENSVNRKVAMOR-BUHFOSPRSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | C(\C=C\C(OCC1CCCCC1)=O)(OC(CCCC)CCC)=O |