| SpectraBase Compound ID | D30xaPS6RqJ |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-2-3-4-5-6-9-17-25-21(23)15-16-22(24)26-20-14-10-12-18-11-7-8-13-19(18)20/h7-8,10-16H,2-6,9,17H2,1H3/b16-15+ |
| InChIKey | FBWQRYROPZKAKF-FOCLMDBBSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KNw5Txr6pm |
|---|---|
| Name | Fumaric acid, 1-naphthyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.183109313 u |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-2-3-4-5-6-9-17-25-21(23)15-16-22(24)26-20-14-10-12-18-11-7-8-13-19(18)20/h7-8,10-16H,2-6,9,17H2,1H3/b16-15+ |
| InChIKey | FBWQRYROPZKAKF-FOCLMDBBSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C(\C=C\C(OC1=C2C(=CC=C1)C=CC=C2)=O)(OCCCCCCCC)=O |