| SpectraBase Compound ID | An4LBd14J5k |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-5-9-13(7-3)19-15(17)11-8-10-14(16)18-12(4)6-2/h2,12-13H,5,7-11H2,1,3-4H3 |
| InChIKey | LOURPDHOINCVDD-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 | 1DuwNGPHHPv |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 3-hexyl 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/c1-5-9-13(7-3)19-15(17)11-8-10-14(16)18-12(4)6-2/h2,12-13H,5,7-11H2,1,3-4H3 |
| InChIKey | LOURPDHOINCVDD-UHFFFAOYSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC(CCC)CC)=O |