| SpectraBase Compound ID | 4PlksH0HKPN |
|---|---|
| InChI | InChI=1S/C23H38O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-23(25)19-18-22(24)26-20-4-2/h2,18-19H,3,5-17,20-21H2,1H3/b19-18+ |
| InChIKey | AJSMKIGTCVOODD-VHEBQXMUSA-N |
| Mol Weight | 378.6 g/mol |
| Molecular Formula | C23H38O4 |
| Exact Mass | 378.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GUB8KfbQhAx |
|---|---|
| Name | Fumaric acid, hexadecyl propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.277009700 u |
| Formula | C23H38O4 |
| InChI | InChI=1S/C23H38O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-23(25)19-18-22(24)26-20-4-2/h2,18-19H,3,5-17,20-21H2,1H3/b19-18+ |
| InChIKey | AJSMKIGTCVOODD-VHEBQXMUSA-N |
| Molecular Weight | 378.553 g/mol |
| SMILES | C(CCOC(\C=C\C(OCC#C)=O)=O)CCCCCCCCCCCCC |