| SpectraBase Compound ID | Dhe7mFPT8o6 |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-2-3-4-7-15-23-19(21)13-14-20(22)24-18-12-8-10-16-9-5-6-11-17(16)18/h5-6,8-14H,2-4,7,15H2,1H3/b14-13+ |
| InChIKey | CWMJGPKZUOXZNJ-BUHFOSPRSA-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 | 9bpOBFB2rI5 |
|---|---|
| Name | Fumaric acid, hexyl 1-naphthyl 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/c1-2-3-4-7-15-23-19(21)13-14-20(22)24-18-12-8-10-16-9-5-6-11-17(16)18/h5-6,8-14H,2-4,7,15H2,1H3/b14-13+ |
| InChIKey | CWMJGPKZUOXZNJ-BUHFOSPRSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(\C=C\C(OC1=C2C(=CC=C1)C=CC=C2)=O)(OCCCCCC)=O |