| SpectraBase Compound ID | FXpiZ78c19B |
|---|---|
| InChI | InChI=1S/C23H40O4/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/h3-4,6,8-21H2,1-2H3 |
| InChIKey | WRTJUVHERGRWMG-UHFFFAOYSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C23H40O4 |
| Exact Mass | 380.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3nXA6D1JkZP |
|---|---|
| Name | Glutaric acid, dodec-9-ynyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.292659764 u |
| Formula | C23H40O4 |
| InChI | InChI=1S/C23H40O4/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/h3-4,6,8-21H2,1-2H3 |
| InChIKey | WRTJUVHERGRWMG-UHFFFAOYSA-N |
| Molecular Weight | 380.569 g/mol |
| SMILES | C(C#CCCCCCCCCOC(CCCC(OCCCCCC)=O)=O)C |