| SpectraBase Compound ID | 7SOFLACyAUG |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-2-3-4-5-6-7-10-15-22-18(20)13-14-19(21)23-16-17-11-8-9-12-17/h13-14,17H,2-12,15-16H2,1H3/b14-13+ |
| InChIKey | FALXZRGXMIHCDW-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 | Hc8WrRiFlIf |
|---|---|
| Name | Fumaric acid, cyclopentylmethyl nonyl 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/c1-2-3-4-5-6-7-10-15-22-18(20)13-14-19(21)23-16-17-11-8-9-12-17/h13-14,17H,2-12,15-16H2,1H3/b14-13+ |
| InChIKey | FALXZRGXMIHCDW-BUHFOSPRSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | C(\C=C\C(OCC1CCCC1)=O)(OCCCCCCCCC)=O |