| SpectraBase Compound ID | 2kBFCDH45lk |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-4-7-13-19-15(17)11-8-9-12-16(18)20-14(6-3)10-5-2/h14H,4,6-9,11-13H2,1-3H3 |
| InChIKey | ZPZJXBKCYMSYRA-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E8umbgCFWHw |
|---|---|
| Name | Adipic acid, butyl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-4-7-13-19-15(17)11-8-9-12-16(18)20-14(6-3)10-5-2/h14H,4,6-9,11-13H2,1-3H3 |
| InChIKey | ZPZJXBKCYMSYRA-UHFFFAOYSA-N |
| SMILES | CCCCOC(CCCCC(=O)OC(C#CC)CC)=O |