| SpectraBase Compound ID | 64kHjrdQLUh |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-6-7-8-9-10-13-19-15(17)11-12-16(18)20-14(3)5-2/h11-12,14H,4-10,13H2,1-3H3/b12-11+ |
| InChIKey | XKPMRKINMLLCMX-VAWYXSNFSA-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 | CkJq5P7b5UR |
|---|---|
| Name | Fumaric acid, 2-butyl octyl 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/c1-4-6-7-8-9-10-13-19-15(17)11-12-16(18)20-14(3)5-2/h11-12,14H,4-10,13H2,1-3H3/b12-11+ |
| InChIKey | XKPMRKINMLLCMX-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OCCCCCCCC)=O)(OC(CC)C)=O |