| SpectraBase Compound ID | IkDbiICoQwr |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-4-7-10-14-20-16(18)12-8-9-13-17(19)21-15(6-3)11-5-2/h15H,4,6-10,12-14H2,1-3H3 |
| InChIKey | CVBOCYVGYMJAIS-UHFFFAOYSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9iUefMUJ5Ae |
|---|---|
| Name | Adipic acid, hex-4-yn-3-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-4-7-10-14-20-16(18)12-8-9-13-17(19)21-15(6-3)11-5-2/h15H,4,6-10,12-14H2,1-3H3 |
| InChIKey | CVBOCYVGYMJAIS-UHFFFAOYSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | CCCCCOC(CCCCC(=O)OC(C#CC)CC)=O |