| SpectraBase Compound ID | 1IeOobJDWje |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-4-7-8-9-10-15-21-17(19)13-11-14-18(20)22-16(6-3)12-5-2/h16H,4,6-11,13-15H2,1-3H3 |
| InChIKey | WGVPFVUSRSAQBQ-UHFFFAOYSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7yGk2s4pYNj |
|---|---|
| Name | Glutaric acid, heptyl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-4-7-8-9-10-15-21-17(19)13-11-14-18(20)22-16(6-3)12-5-2/h16H,4,6-11,13-15H2,1-3H3 |
| InChIKey | WGVPFVUSRSAQBQ-UHFFFAOYSA-N |
| SMILES | CCC(OC(CCCC(OCCCCCCC)=O)=O)C#CC |