| SpectraBase Compound ID | I4aGDD2jrbL |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-4-7-8-9-11-15(6-3)21-17(19)13-10-12-16(18)20-14-5-2/h15H,4-7,10-14H2,1-3H3 |
| InChIKey | TUXLYNWZTHAAQB-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 | 7TGPvrWkuTL |
|---|---|
| Name | Glutaric acid, non-5-yn-3-yl propyl 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/c1-4-7-8-9-11-15(6-3)21-17(19)13-10-12-16(18)20-14-5-2/h15H,4-7,10-14H2,1-3H3 |
| InChIKey | TUXLYNWZTHAAQB-UHFFFAOYSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | CCC(OC(CCCC(OCCC)=O)=O)CC#CCCC |