| SpectraBase Compound ID | BIjb9id8med |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-4-17(14(2)3)23-19(21)12-13-20(22)24-18-11-7-9-15-8-5-6-10-16(15)18/h5-14,17H,4H2,1-3H3/b13-12+ |
| InChIKey | TYHKHNKYZLQAOZ-OUKQBFOZSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CBkbHNh8Tg3 |
|---|---|
| Name | Fumaric acid, naphth-1-yl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-4-17(14(2)3)23-19(21)12-13-20(22)24-18-11-7-9-15-8-5-6-10-16(15)18/h5-14,17H,4H2,1-3H3/b13-12+ |
| InChIKey | TYHKHNKYZLQAOZ-OUKQBFOZSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(\C=C\C(OC(CC)C(C)C)=O)(OC1=CC=CC2=C1C=CC=C2)=O |