| SpectraBase Compound ID | J7R2htji05X |
|---|---|
| InChI | InChI=1S/C25H42O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-25(27)21-20-24(26)28-22-4-2/h2,20-21H,3,5-19,22-23H2,1H3/b21-20+ |
| InChIKey | DIOKSGCPSOPHOK-QZQOTICOSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70yRwcTzDaM |
|---|---|
| Name | Fumaric acid, octadecyl propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.308309828 u |
| Formula | C25H42O4 |
| InChI | InChI=1S/C25H42O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-25(27)21-20-24(26)28-22-4-2/h2,20-21H,3,5-19,22-23H2,1H3/b21-20+ |
| InChIKey | DIOKSGCPSOPHOK-QZQOTICOSA-N |
| Molecular Weight | 406.607 g/mol |
| SMILES | C(OC(\C=C\C(OCC#C)=O)=O)CCCCCCCCCCCCCCCCC |