| SpectraBase Compound ID | K3WlnGcluQ1 |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-6-7-8-9-10-11-14-21-16(19)12-13-17(20)22-15-18(2,3)4/h12-13H,5-11,14-15H2,1-4H3/b13-12+ |
| InChIKey | XIZTVOZJZBPEKB-OUKQBFOZSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzHHomrDUXJ |
|---|---|
| Name | Fumaric acid, neopentyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-5-6-7-8-9-10-11-14-21-16(19)12-13-17(20)22-15-18(2,3)4/h12-13H,5-11,14-15H2,1-4H3/b13-12+ |
| InChIKey | XIZTVOZJZBPEKB-OUKQBFOZSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(OC(\C=C\C(OCC(C)(C)C)=O)=O)CCCCCCCC |