| SpectraBase Compound ID | 1Piv6pcJXpn |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-5-7-13(4)19-15(17)10-9-14(16)18-11-6-8-12(2)3/h5,9-10,12-13H,1,6-8,11H2,2-4H3/b10-9+ |
| InChIKey | UKGGBDYWJNILMW-MDZDMXLPSA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6UAxUIZYPzC |
|---|---|
| Name | Fumaric acid, isohexyl pent-4-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.167459249 u |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-5-7-13(4)19-15(17)10-9-14(16)18-11-6-8-12(2)3/h5,9-10,12-13H,1,6-8,11H2,2-4H3/b10-9+ |
| InChIKey | UKGGBDYWJNILMW-MDZDMXLPSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C=CCC(OC(\C=C\C(OCCCC(C)C)=O)=O)C |