| SpectraBase Compound ID | 8riVJQaNyOf |
|---|---|
| InChI | InChI=1S/C22H40O5/c1-4-6-8-10-12-19-26-21(23)16-17-22(24)27-20(15-13-18-25-3)14-11-9-7-5-2/h16-17,20H,4-15,18-19H2,1-3H3/b17-16+ |
| InChIKey | RNTVGAXVVZQBTR-WUKNDPDISA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C22H40O5 |
| Exact Mass | 384.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8nsAmtAkTaa |
|---|---|
| Name | Fumaric acid, heptyl 1-methoxydec-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.287574383 u |
| Formula | C22H40O5 |
| InChI | InChI=1S/C22H40O5/c1-4-6-8-10-12-19-26-21(23)16-17-22(24)27-20(15-13-18-25-3)14-11-9-7-5-2/h16-17,20H,4-15,18-19H2,1-3H3/b17-16+ |
| InChIKey | RNTVGAXVVZQBTR-WUKNDPDISA-N |
| Molecular Weight | 384.557 g/mol |
| SMILES | C(\C=C\C(OC(CCCOC)CCCCCC)=O)(OCCCCCCC)=O |