| SpectraBase Compound ID | E2g3JQS22VI |
|---|---|
| InChI | InChI=1S/C18H23FO4/c1-13(11-18(2,3)4)12-22-16(20)9-10-17(21)23-15-8-6-5-7-14(15)19/h5-10,13H,11-12H2,1-4H3/b10-9+ |
| InChIKey | PLUYXWWNOGFGMW-MDZDMXLPSA-N |
| Mol Weight | 322.38 g/mol |
| Molecular Formula | C18H23FO4 |
| Exact Mass | 322.158037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JHqEbWJlA8F |
|---|---|
| Name | Fumaric acid, 2,4,4-trimethylpentyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.158037380 u |
| Formula | C18H23FO4 |
| InChI | InChI=1S/C18H23FO4/c1-13(11-18(2,3)4)12-22-16(20)9-10-17(21)23-15-8-6-5-7-14(15)19/h5-10,13H,11-12H2,1-4H3/b10-9+ |
| InChIKey | PLUYXWWNOGFGMW-MDZDMXLPSA-N |
| Molecular Weight | 322.376 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC=C1F)=O)(OCC(CC(C)(C)C)C)=O |