| SpectraBase Compound ID | 4qFl4WO47ns |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-2-3-4-5-6-7-8-9-13-18-25-21(23)16-17-22(24)26-19-20-14-11-10-12-15-20/h16-17,20H,2-15,18-19H2,1H3/b17-16+ |
| InChIKey | PGIWSTQAMDTCIB-WUKNDPDISA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HCx6Wv1Vr9i |
|---|---|
| Name | Fumaric acid, cyclohexylmethyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-2-3-4-5-6-7-8-9-13-18-25-21(23)16-17-22(24)26-19-20-14-11-10-12-15-20/h16-17,20H,2-15,18-19H2,1H3/b17-16+ |
| InChIKey | PGIWSTQAMDTCIB-WUKNDPDISA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | C(OC(\C=C\C(OCCCCCCCCCCC)=O)=O)C1CCCCC1 |