| SpectraBase Compound ID | H3IyERLmICq |
|---|---|
| InChI | InChI=1S/C24H42O4/c1-4-7-8-9-10-11-12-13-14-15-16-20-27-23(25)18-17-19-24(26)28-21-22(5-2)6-3/h22H,4-14,17-21H2,1-3H3 |
| InChIKey | UBQNWQQEHWPYPY-UHFFFAOYSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C24H42O4 |
| Exact Mass | 394.30831 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 | 3EIFFMGQT4G |
|---|---|
| Name | Glutaric acid, tridec-2-yn-1-yl 2-ethylbutyl 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/c1-4-7-8-9-10-11-12-13-14-15-16-20-27-23(25)18-17-19-24(26)28-21-22(5-2)6-3/h22H,4-14,17-21H2,1-3H3 |
| InChIKey | UBQNWQQEHWPYPY-UHFFFAOYSA-N |
| Molecular Weight | 394.596 g/mol |
| SMILES | C(CCC(OCC#CCCCCCCCCCC)=O)C(OCC(CC)CC)=O |