| SpectraBase Compound ID | FAkviOVUDpz |
|---|---|
| InChI | InChI=1S/C24H42O4/c1-5-8-10-12-13-14-17-21(4)27-23(25)19-16-20-24(26)28-22(7-3)18-15-11-9-6-2/h21-22H,5-10,12-14,16-20H2,1-4H3 |
| InChIKey | LIRFSNCDYGBGDX-UHFFFAOYSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C24H42O4 |
| Exact Mass | 394.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ucdZWn6kre |
|---|---|
| Name | Glutaric acid, dec-2-yl non-5-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.308309828 u |
| Formula | C24H42O4 |
| InChI | InChI=1S/C24H42O4/c1-5-8-10-12-13-14-17-21(4)27-23(25)19-16-20-24(26)28-22(7-3)18-15-11-9-6-2/h21-22H,5-10,12-14,16-20H2,1-4H3 |
| InChIKey | LIRFSNCDYGBGDX-UHFFFAOYSA-N |
| Molecular Weight | 394.596 g/mol |
| SMILES | C(CCC(OC(CCCCCCCC)C)=O)C(OC(CC)CC#CCCC)=O |