| SpectraBase Compound ID | 1GjC69oAyym |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-5-13(4)19-15(17)10-6-9-14(16)18-11-7-8-12(2)3/h1,12-13H,6-11H2,2-4H3 |
| InChIKey | ODFVLBINMDSXIJ-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 | GjzEOT77qK0 |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl isohexyl 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/c1-5-13(4)19-15(17)10-6-9-14(16)18-11-7-8-12(2)3/h1,12-13H,6-11H2,2-4H3 |
| InChIKey | ODFVLBINMDSXIJ-UHFFFAOYSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C#CC(OC(CCCC(OCCCC(C)C)=O)=O)C |