| SpectraBase Compound ID | FpLEV0DgrNP |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-7-14(4)12-20-16(18)10-9-15(17)19-11-6-8-13(2)3/h9-10,13-14H,5-8,11-12H2,1-4H3/b10-9+ |
| InChIKey | VYUAUJUJLSWCME-MDZDMXLPSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9rqCPV8pVfl |
|---|---|
| Name | Fumaric acid, isohexyl 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-5-7-14(4)12-20-16(18)10-9-15(17)19-11-6-8-13(2)3/h9-10,13-14H,5-8,11-12H2,1-4H3/b10-9+ |
| InChIKey | VYUAUJUJLSWCME-MDZDMXLPSA-N |
| SMILES | C(OCC(C)CCC)(\C=C\C(OCCCC(C)C)=O)=O |