| SpectraBase Compound ID | CZnIY9egs1z |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-6-9-14(7-2)20-16(18)11-8-10-15(17)19-13(5)12(3)4/h12-14H,7-8,10-11H2,1-5H3 |
| InChIKey | LDTPQGDJTGVNBE-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | INEGkmZNAqc |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-6-9-14(7-2)20-16(18)11-8-10-15(17)19-13(5)12(3)4/h12-14H,7-8,10-11H2,1-5H3 |
| InChIKey | LDTPQGDJTGVNBE-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC(C(C)C)C)=O |