| SpectraBase Compound ID | 9uYcdIFZQta |
|---|---|
| InChI | InChI=1S/C18H22F2O4/c1-2-3-4-5-6-7-10-23-17(21)8-9-18(22)24-16-12-14(19)11-15(20)13-16/h8-9,11-13H,2-7,10H2,1H3/b9-8+ |
| InChIKey | UQJJWHUEGWQOKT-CMDGGOBGSA-N |
| Mol Weight | 340.37 g/mol |
| Molecular Formula | C18H22F2O4 |
| Exact Mass | 340.148616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LH6lNoRhbPE |
|---|---|
| Name | Fumaric acid, 3,5-difluorophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.148615510 u |
| Formula | C18H22F2O4 |
| InChI | InChI=1S/C18H22F2O4/c1-2-3-4-5-6-7-10-23-17(21)8-9-18(22)24-16-12-14(19)11-15(20)13-16/h8-9,11-13H,2-7,10H2,1H3/b9-8+ |
| InChIKey | UQJJWHUEGWQOKT-CMDGGOBGSA-N |
| Molecular Weight | 340.367 g/mol |
| SMILES | C(CCCOC(\C=C\C(OC1=CC(=CC(=C1)F)F)=O)=O)CCCC |