| SpectraBase Compound ID | CYebJNR9eCH |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-4-7-9-10-11-12-13-18-24-20(22)16-17-21(23)25-19(14-6-3)15-8-5-2/h16-17,19H,4-15,18H2,1-3H3/b17-16+ |
| InChIKey | BTUMRNPXBYGBLH-WUKNDPDISA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DzobkiYw8ff |
|---|---|
| Name | Fumaric acid, nonyl 4-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-4-7-9-10-11-12-13-18-24-20(22)16-17-21(23)25-19(14-6-3)15-8-5-2/h16-17,19H,4-15,18H2,1-3H3/b17-16+ |
| InChIKey | BTUMRNPXBYGBLH-WUKNDPDISA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(COC(\C=C\C(OC(CCCC)CCC)=O)=O)CCCCCCC |