| SpectraBase Compound ID | GbK1gnhYXVF |
|---|---|
| InChI | InChI=1S/C20H27Cl3O4/c1-2-3-4-5-6-7-8-12-26-19(24)10-9-11-20(25)27-18-14-16(22)15(21)13-17(18)23/h13-14H,2-12H2,1H3 |
| InChIKey | DLNGMRYHUQBYAZ-UHFFFAOYSA-N |
| Mol Weight | 437.79 g/mol |
| Molecular Formula | C20H27Cl3O4 |
| Exact Mass | 436.097492 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 | KTuXn5QCFq0 |
|---|---|
| Name | Glutaric acid, nonyl 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.097492445 u |
| Formula | C20H27Cl3O4 |
| InChI | InChI=1S/C20H27Cl3O4/c1-2-3-4-5-6-7-8-12-26-19(24)10-9-11-20(25)27-18-14-16(22)15(21)13-17(18)23/h13-14H,2-12H2,1H3 |
| InChIKey | DLNGMRYHUQBYAZ-UHFFFAOYSA-N |
| Molecular Weight | 437.791 g/mol |
| SMILES | CCCCCCCCCOC(CCCC(OC1=CC(=C(C=C1Cl)Cl)Cl)=O)=O |