| SpectraBase Compound ID | EY90Qc61hOX |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-4-7-9-11-14-18(6-3)24-20(22)16-13-15-19(21)23-17-12-10-8-5-2/h18H,4-8,10,12-17H2,1-3H3 |
| InChIKey | OMIRELRNVNEEGQ-UHFFFAOYSA-N |
| Mol Weight | 338.5 g/mol |
| Molecular Formula | C20H34O4 |
| Exact Mass | 338.24571 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 | FdqUwHWIZu0 |
|---|---|
| Name | Glutaric acid, hexyl non-5-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.245709571 u |
| Formula | C20H34O4 |
| InChI | InChI=1S/C20H34O4/c1-4-7-9-11-14-18(6-3)24-20(22)16-13-15-19(21)23-17-12-10-8-5-2/h18H,4-8,10,12-17H2,1-3H3 |
| InChIKey | OMIRELRNVNEEGQ-UHFFFAOYSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | C(C#CCC(OC(CCCC(OCCCCCC)=O)=O)CC)CC |