| SpectraBase Compound ID | GlYFZzZyrCs |
|---|---|
| InChI | InChI=1S/C20H13FO4/c21-16-9-3-4-10-18(16)25-20(23)13-12-19(22)24-17-11-5-7-14-6-1-2-8-15(14)17/h1-13H/b13-12+ |
| InChIKey | CTVFZJUGOLYCFR-OUKQBFOZSA-N |
| Mol Weight | 336.32 g/mol |
| Molecular Formula | C20H13FO4 |
| Exact Mass | 336.079787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGR9DIEvCjS |
|---|---|
| Name | Fumaric acid, naphth-1-yl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.079787058 u |
| Formula | C20H13FO4 |
| InChI | InChI=1S/C20H13FO4/c21-16-9-3-4-10-18(16)25-20(23)13-12-19(22)24-17-11-5-7-14-6-1-2-8-15(14)17/h1-13H/b13-12+ |
| InChIKey | CTVFZJUGOLYCFR-OUKQBFOZSA-N |
| Molecular Weight | 336.318 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=CC=CC2=C1C=CC=C2)=O |