| SpectraBase Compound ID | CtrdXOzNdqT |
|---|---|
| InChI | InChI=1S/C22H36O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-26-22(24)18-17-21(23)25-19-4-2/h2,17-18H,3,5-16,19-20H2,1H3/b18-17+ |
| InChIKey | BTUNCSLTAWBWIV-ISLYRVAYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C22H36O4 |
| Exact Mass | 364.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ho6QFocxfpR |
|---|---|
| Name | Fumaric acid, pentadecyl propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.261359635 u |
| Formula | C22H36O4 |
| InChI | InChI=1S/C22H36O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-26-22(24)18-17-21(23)25-19-4-2/h2,17-18H,3,5-16,19-20H2,1H3/b18-17+ |
| InChIKey | BTUNCSLTAWBWIV-ISLYRVAYSA-N |
| Molecular Weight | 364.526 g/mol |
| SMILES | C(CCCCOC(\C=C\C(OCC#C)=O)=O)CCCCCCCCCC |