| SpectraBase Compound ID | JJRsCY6TGCt |
|---|---|
| InChI | InChI=1S/C25H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-25(26)27-23-6-4-2/h3,5,7-24H2,1-2H3 |
| InChIKey | MNDFUBOBECJYKH-UHFFFAOYSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C25H46O3 |
| Exact Mass | 394.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LiXy8FiDazz |
|---|---|
| Name | Carbonic acid, but-2-yn-1-yl eicosyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.344695338 u |
| Formula | C25H46O3 |
| InChI | InChI=1S/C25H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-25(26)27-23-6-4-2/h3,5,7-24H2,1-2H3 |
| InChIKey | MNDFUBOBECJYKH-UHFFFAOYSA-N |
| Molecular Weight | 394.640 g/mol |
| SMILES | C(CCOC(OCC#CC)=O)CCCCCCCCCCCCCCCCC |