| SpectraBase Compound ID | HUBaZQXyyN8 |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-3-5-7-9-10-11-12-13-14-16-21-27-23(25)19-17-18-22(24)26-20-15-8-6-4-2/h6,8H,3-5,7,9-21H2,1-2H3/b8-6- |
| InChIKey | QQXZDULUXGYWKS-VURMDHGXSA-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 | FXFdxJeqdYY |
|---|---|
| Name | Glutaric acid, cis-hex-3-enyl dodecyl 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/c1-3-5-7-9-10-11-12-13-14-16-21-27-23(25)19-17-18-22(24)26-20-15-8-6-4-2/h6,8H,3-5,7,9-21H2,1-2H3/b8-6- |
| InChIKey | QQXZDULUXGYWKS-VURMDHGXSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | CCCCCCCCCCCCOC(CCCC(OCC\C=C/CC)=O)=O |