| SpectraBase Compound ID | IhBxevY0DrA |
|---|---|
| InChI | InChI=1S/C17H26O4/c1-4-7-8-9-14-20-16(18)12-10-13-17(19)21-15(6-3)11-5-2/h7-8,15H,4,6,9-10,12-14H2,1-3H3/b8-7+ |
| InChIKey | SWOXRQBHHSGLHO-BQYQJAHWSA-N |
| Mol Weight | 294.39 g/mol |
| Molecular Formula | C17H26O4 |
| Exact Mass | 294.183109 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 | ETWQ4WZlAxl |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl trans-hex-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.183109313 u |
| Formula | C17H26O4 |
| InChI | InChI=1S/C17H26O4/c1-4-7-8-9-14-20-16(18)12-10-13-17(19)21-15(6-3)11-5-2/h7-8,15H,4,6,9-10,12-14H2,1-3H3/b8-7+ |
| InChIKey | SWOXRQBHHSGLHO-BQYQJAHWSA-N |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OCC\C=C\CC)=O |