| SpectraBase Compound ID | KZPAOkZ9pBE |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-6-7-8-9-12-20-15(18)10-11-16(19)21-17(13(2)3)14(4)5/h10-11,13-14,17H,6-9,12H2,1-5H3/b11-10+ |
| InChIKey | WDPSXHOYSAAWSY-ZHACJKMWSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Idmsai297RF |
|---|---|
| Name | Fumaric acid, 2,4-dimethylpent-3-yl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-6-7-8-9-12-20-15(18)10-11-16(19)21-17(13(2)3)14(4)5/h10-11,13-14,17H,6-9,12H2,1-5H3/b11-10+ |
| InChIKey | WDPSXHOYSAAWSY-ZHACJKMWSA-N |
| SMILES | C(OC(C(C)C)C(C)C)(\C=C\C(OCCCCCC)=O)=O |