| SpectraBase Compound ID | LFTqOFYN0aY |
|---|---|
| InChI | InChI=1S/C17H13FO5/c1-21-12-6-8-13(9-7-12)22-16(19)10-11-17(20)23-15-5-3-2-4-14(15)18/h2-11H,1H3/b11-10+ |
| InChIKey | GDDLKFXMRSJHNI-ZHACJKMWSA-N |
| Mol Weight | 316.28 g/mol |
| Molecular Formula | C17H13FO5 |
| Exact Mass | 316.074702 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DI5uLNUD2hT |
|---|---|
| Name | Fumaric acid, 4-methoxyphenyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.074701677 u |
| Formula | C17H13FO5 |
| InChI | InChI=1S/C17H13FO5/c1-21-12-6-8-13(9-7-12)22-16(19)10-11-17(20)23-15-5-3-2-4-14(15)18/h2-11H,1H3/b11-10+ |
| InChIKey | GDDLKFXMRSJHNI-ZHACJKMWSA-N |
| Molecular Weight | 316.284 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=CC=C(C=C1)OC)=O |