| SpectraBase Compound ID | U80kAGKFvb |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-6-12(5)18-14(16)9-8-10-15(17)19-13(7-2)11(3)4/h1,11-13H,7-10H2,2-5H3 |
| InChIKey | VSZWYAFERJODPA-UHFFFAOYSA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ApOmZ0sEhP |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.167459249 u |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-6-12(5)18-14(16)9-8-10-15(17)19-13(7-2)11(3)4/h1,11-13H,7-10H2,2-5H3 |
| InChIKey | VSZWYAFERJODPA-UHFFFAOYSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC(C(C)C)CC)=O |