| SpectraBase Compound ID | Esom6MPEevR |
|---|---|
| InChI | InChI=1S/C19H24F2O4/c1-2-3-4-5-6-7-8-11-24-18(22)9-10-19(23)25-17-13-15(20)12-16(21)14-17/h9-10,12-14H,2-8,11H2,1H3/b10-9+ |
| InChIKey | YTVVBUALPZYBJH-MDZDMXLPSA-N |
| Mol Weight | 354.39 g/mol |
| Molecular Formula | C19H24F2O4 |
| Exact Mass | 354.164266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 30ffuRSncWQ |
|---|---|
| Name | Fumaric acid, 3,5-difluorophenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.164265575 u |
| Formula | C19H24F2O4 |
| InChI | InChI=1S/C19H24F2O4/c1-2-3-4-5-6-7-8-11-24-18(22)9-10-19(23)25-17-13-15(20)12-16(21)14-17/h9-10,12-14H,2-8,11H2,1H3/b10-9+ |
| InChIKey | YTVVBUALPZYBJH-MDZDMXLPSA-N |
| Molecular Weight | 354.394 g/mol |
| SMILES | C(COC(\C=C\C(OC=1C=C(C=C(C1)F)F)=O)=O)CCCCCCC |