| SpectraBase Compound ID | 4ePTGwHU9fc |
|---|---|
| InChI | InChI=1S/C17H20O4/c1-4-13(3)20-16(18)10-7-11-17(19)21-15-9-6-8-14(5-2)12-15/h1,6,8-9,12-13H,5,7,10-11H2,2-3H3 |
| InChIKey | FXWZTKHGOYIFMN-UHFFFAOYSA-N |
| Mol Weight | 288.34 g/mol |
| Molecular Formula | C17H20O4 |
| Exact Mass | 288.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D9hHzcZQPXl |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 3-ethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.136159120 u |
| Formula | C17H20O4 |
| InChI | InChI=1S/C17H20O4/c1-4-13(3)20-16(18)10-7-11-17(19)21-15-9-6-8-14(5-2)12-15/h1,6,8-9,12-13H,5,7,10-11H2,2-3H3 |
| InChIKey | FXWZTKHGOYIFMN-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC1=CC=CC(CC)=C1)=O |