| SpectraBase Compound ID | Qi6y5rJ1GZ |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-5-10-14(7-3)20-16(18)12-9-13-17(19)21-15(8-4)11-6-2/h5,7,14-15H,1,3,8-10,12-13H2,2,4H3 |
| InChIKey | KSOWJGUBICFRHQ-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bSfRM631bR |
|---|---|
| Name | Glutaric acid, hexa-1,5-dien-3-yl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-5-10-14(7-3)20-16(18)12-9-13-17(19)21-15(8-4)11-6-2/h5,7,14-15H,1,3,8-10,12-13H2,2,4H3 |
| InChIKey | KSOWJGUBICFRHQ-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC(C=C)CC=C)=O |