| SpectraBase Compound ID | 1IEq5MyeviK |
|---|---|
| InChI | InChI=1S/C17H20O4/c1-5-13(3)20-16(18)10-7-11-17(19)21-15-9-6-8-12(2)14(15)4/h1,6,8-9,13H,7,10-11H2,2-4H3 |
| InChIKey | ALKXMKZHFVMLJA-UHFFFAOYSA-N |
| Mol Weight | 288.34 g/mol |
| Molecular Formula | C17H20O4 |
| Exact Mass | 288.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2yLLQbe0rXh |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2,3-dimethylphenyl 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/c1-5-13(3)20-16(18)10-7-11-17(19)21-15-9-6-8-12(2)14(15)4/h1,6,8-9,13H,7,10-11H2,2-4H3 |
| InChIKey | ALKXMKZHFVMLJA-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC1=C(C(C)=CC=C1)C)=O |