| SpectraBase Compound ID | AozWoGJ1MDk |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-6-7-8-11-19-14(17)9-10-15(18)20-16(12(2)3)13(4)5/h9-10,12-13,16H,6-8,11H2,1-5H3/b10-9+ |
| InChIKey | KOMOPXYWOALZFF-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 | 1VxtqexQgp1 |
|---|---|
| Name | Fumaric acid, 2,4-dimethylpent-3-yl pentyl 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/c1-6-7-8-11-19-14(17)9-10-15(18)20-16(12(2)3)13(4)5/h9-10,12-13,16H,6-8,11H2,1-5H3/b10-9+ |
| InChIKey | KOMOPXYWOALZFF-MDZDMXLPSA-N |
| SMILES | C(OC(C(C)C)C(C)C)(\C=C\C(OCCCCC)=O)=O |