| SpectraBase Compound ID | HM7y3KQzf5U |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-4-6-7-8-12-18-14(16)10-9-11-15(17)19-13(3)5-2/h2,13H,4,6-12H2,1,3H3 |
| InChIKey | AQUIQNLTUQCXNA-UHFFFAOYSA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CBjetWl0lVL |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.167459249 u |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-4-6-7-8-12-18-14(16)10-9-11-15(17)19-13(3)5-2/h2,13H,4,6-12H2,1,3H3 |
| InChIKey | AQUIQNLTUQCXNA-UHFFFAOYSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C#CC(OC(CCCC(OCCCCCC)=O)=O)C |