| SpectraBase Compound ID | IyjI0xAgTcJ |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-5-8-11-14(4)20-16(18)12-9-13-17(19)21-15(7-3)10-6-2/h14-15H,5,7-9,11-13H2,1-4H3 |
| InChIKey | BVPAYTDOEFINGN-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 | Lfjtgs9QtLZ |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 2-hexyl 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/c1-5-8-11-14(4)20-16(18)12-9-13-17(19)21-15(7-3)10-6-2/h14-15H,5,7-9,11-13H2,1-4H3 |
| InChIKey | BVPAYTDOEFINGN-UHFFFAOYSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC(CCCC)C)=O |