| SpectraBase Compound ID | 887MvS9Gv20 |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-5-8-13(6-2)19-15(17)10-7-9-14(16)18-11-12(3)4/h12-13H,6-7,9-11H2,1-4H3 |
| InChIKey | CRTYWRCYZWYOFK-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 | HaEZ1T3AnLy |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl isobutyl 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/c1-5-8-13(6-2)19-15(17)10-7-9-14(16)18-11-12(3)4/h12-13H,6-7,9-11H2,1-4H3 |
| InChIKey | CRTYWRCYZWYOFK-UHFFFAOYSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | CCC(OC(CCCC(OCC(C)C)=O)=O)C#CC |