| SpectraBase Compound ID | 3UoKHsMoA47 |
|---|---|
| InChI | InChI=1S/C17H20O4/c1-3-14(2)21-17(19)11-7-10-16(18)20-13-12-15-8-5-4-6-9-15/h1,4-6,8-9,14H,7,10-13H2,2H3 |
| InChIKey | QSCVUFNECKYCKC-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 | XzIcg4QVf1 |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl phenethyl 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/c1-3-14(2)21-17(19)11-7-10-16(18)20-13-12-15-8-5-4-6-9-15/h1,4-6,8-9,14H,7,10-13H2,2H3 |
| InChIKey | QSCVUFNECKYCKC-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OCCC1=CC=CC=C1)=O |