| SpectraBase Compound ID | Jf6RoG1i36f |
|---|---|
| InChI | InChI=1S/C20H18O4/c1-3-7-17(4-2)23-19(21)12-13-20(22)24-18-11-10-15-8-5-6-9-16(15)14-18/h5-6,8-14,17H,4H2,1-2H3/b13-12+ |
| InChIKey | WBIUAUCAJRWOEU-OUKQBFOZSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C20H18O4 |
| Exact Mass | 322.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KyUtIkLydqa |
|---|---|
| Name | Fumaric acid, naphth-2-yl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.120509056 u |
| Formula | C20H18O4 |
| InChI | InChI=1S/C20H18O4/c1-3-7-17(4-2)23-19(21)12-13-20(22)24-18-11-10-15-8-5-6-9-16(15)14-18/h5-6,8-14,17H,4H2,1-2H3/b13-12+ |
| InChIKey | WBIUAUCAJRWOEU-OUKQBFOZSA-N |
| Molecular Weight | 322.360 g/mol |
| SMILES | C(\C=C\C(OC(CC)C#CC)=O)(OC1=CC=C2C(=C1)C=CC=C2)=O |