| SpectraBase Compound ID | HUOEffVdYvR |
|---|---|
| InChI | InChI=1S/C22H40O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22(23)24-20-6-4-2/h3,5,7-21H2,1-2H3 |
| InChIKey | FQINAGFWKLGLJC-UHFFFAOYSA-N |
| Mol Weight | 352.6 g/mol |
| Molecular Formula | C22H40O3 |
| Exact Mass | 352.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9G0XQaCXsHK |
|---|---|
| Name | Carbonic acid, but-2-yn-1-yl heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.297745145 u |
| Formula | C22H40O3 |
| InChI | InChI=1S/C22H40O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22(23)24-20-6-4-2/h3,5,7-21H2,1-2H3 |
| InChIKey | FQINAGFWKLGLJC-UHFFFAOYSA-N |
| Molecular Weight | 352.559 g/mol |
| SMILES | C(CCOC(OCC#CC)=O)CCCCCCCCCCCCCC |