| SpectraBase Compound ID | 3ij7bekXzGH |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-7-9-14(8-6-2)20-16(18)11-10-15(17)19-12-13(3)4/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+ |
| InChIKey | WUURDFGBGLQSLS-ZHACJKMWSA-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 | 44wSXoqdh6Z |
|---|---|
| Name | Fumaric acid, isobutyl 4-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/c1-5-7-9-14(8-6-2)20-16(18)11-10-15(17)19-12-13(3)4/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+ |
| InChIKey | WUURDFGBGLQSLS-ZHACJKMWSA-N |
| SMILES | CC(COC(\C=C\C(OC(CCCC)CCC)=O)=O)C |