| SpectraBase Compound ID | 9qCAiHl62t6 |
|---|---|
| InChI | InChI=1S/C16H10F2O4/c17-11-3-1-5-13(9-11)21-15(19)7-8-16(20)22-14-6-2-4-12(18)10-14/h1-10H/b8-7+ |
| InChIKey | JDHDRGSQABCLKC-BQYQJAHWSA-N |
| Mol Weight | 304.25 g/mol |
| Molecular Formula | C16H10F2O4 |
| Exact Mass | 304.054715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7u3yjzs3ii |
|---|---|
| Name | Fumaric acid, di(3-fluorophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.054715124 u |
| Formula | C16H10F2O4 |
| InChI | InChI=1S/C16H10F2O4/c17-11-3-1-5-13(9-11)21-15(19)7-8-16(20)22-14-6-2-4-12(18)10-14/h1-10H/b8-7+ |
| InChIKey | JDHDRGSQABCLKC-BQYQJAHWSA-N |
| Molecular Weight | 304.249 g/mol |
| SMILES | C(OC1=CC=CC(=C1)F)(\C=C\C(OC1=CC(=CC=C1)F)=O)=O |