| SpectraBase Compound ID | EdPQ4uw97Jk |
|---|---|
| InChI | InChI=1S/C22H32O5/c1-3-4-5-6-7-8-9-10-11-18-26-21(23)16-17-22(24)27-20-14-12-19(25-2)13-15-20/h12-17H,3-11,18H2,1-2H3/b17-16+ |
| InChIKey | SZKZUOIUZFPHCY-WUKNDPDISA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H32O5 |
| Exact Mass | 376.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYMuiaBaQGO |
|---|---|
| Name | Fumaric acid, 4-methoxyphenyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.224974125 u |
| Formula | C22H32O5 |
| InChI | InChI=1S/C22H32O5/c1-3-4-5-6-7-8-9-10-11-18-26-21(23)16-17-22(24)27-20-14-12-19(25-2)13-15-20/h12-17H,3-11,18H2,1-2H3/b17-16+ |
| InChIKey | SZKZUOIUZFPHCY-WUKNDPDISA-N |
| Molecular Weight | 376.493 g/mol |
| SMILES | C(CCCCOC(\C=C\C(OC1=CC=C(OC)C=C1)=O)=O)CCCCCC |