| SpectraBase Compound ID | 1YEQPdZQTrQ |
|---|---|
| InChI | InChI=1S/C14H15Cl3O4/c1-8(2)20-12(18)4-3-5-13(19)21-14-10(16)6-9(15)7-11(14)17/h6-8H,3-5H2,1-2H3 |
| InChIKey | BOSSYMCKTNWPAW-UHFFFAOYSA-N |
| Mol Weight | 353.63 g/mol |
| Molecular Formula | C14H15Cl3O4 |
| Exact Mass | 352.003592 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 | DyqOgvfia6C |
|---|---|
| Name | Glutaric acid, 2,4,6-trichlorophenyl isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.003592059 u |
| Formula | C14H15Cl3O4 |
| InChI | InChI=1S/C14H15Cl3O4/c1-8(2)20-12(18)4-3-5-13(19)21-14-10(16)6-9(15)7-11(14)17/h6-8H,3-5H2,1-2H3 |
| InChIKey | BOSSYMCKTNWPAW-UHFFFAOYSA-N |
| Molecular Weight | 353.629 g/mol |
| SMILES | C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC(C)C)=O |