| SpectraBase Compound ID | Ixd3iryUAlD |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-7-13(3)11-19-15(17)9-10-16(18)20-12-14(4)8-6-2/h9-10,13-14H,5-8,11-12H2,1-4H3/b10-9+ |
| InChIKey | WAROTACXSPDFIV-MDZDMXLPSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HNqYxfr9dpm |
|---|---|
| Name | Fumaric acid, di(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/c1-5-7-13(3)11-19-15(17)9-10-16(18)20-12-14(4)8-6-2/h9-10,13-14H,5-8,11-12H2,1-4H3/b10-9+ |
| InChIKey | WAROTACXSPDFIV-MDZDMXLPSA-N |
| SMILES | C(OCC(C)CCC)(\C=C\C(OCC(C)CCC)=O)=O |