| SpectraBase Compound ID | CubMuzacmx6 |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-4-7-9-10-12-16(6-3)22-18(20)14-11-13-17(19)21-15-8-5-2/h16H,4-8,11-15H2,1-3H3 |
| InChIKey | UHQDIYBWJKHMAH-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 | 9BKkWkUN5Hu |
|---|---|
| Name | Glutaric acid, butyl non-5-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/c1-4-7-9-10-12-16(6-3)22-18(20)14-11-13-17(19)21-15-8-5-2/h16H,4-8,11-15H2,1-3H3 |
| InChIKey | UHQDIYBWJKHMAH-UHFFFAOYSA-N |
| SMILES | C(C#CCC(OC(CCCC(OCCCC)=O)=O)CC)CC |