| SpectraBase Compound ID | 1AIrHxPYgdK |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-4-7-9-10-11-12-13-14-19-26-22(24)17-15-18-23(25)27-20-21(6-3)16-8-5-2/h4,21H,1,5-20H2,2-3H3 |
| InChIKey | HUYXBZNDTGZHKZ-UHFFFAOYSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JOAc0d2mcuE |
|---|---|
| Name | Glutaric acid, 2-ethylhexyl dec-9-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.308309828 u |
| Formula | C23H42O4 |
| InChI | InChI=1S/C23H42O4/c1-4-7-9-10-11-12-13-14-19-26-22(24)17-15-18-23(25)27-20-21(6-3)16-8-5-2/h4,21H,1,5-20H2,2-3H3 |
| InChIKey | HUYXBZNDTGZHKZ-UHFFFAOYSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(CCC(OCC(CCCC)CC)=O)C(OCCCCCCCCC=C)=O |