| SpectraBase Compound ID | Ibe7Xw37vFl |
|---|---|
| InChI | InChI=1S/C13H13Cl3O4/c1-4-19-11(17)13(2,3)12(18)20-10-8(15)5-7(14)6-9(10)16/h5-6H,4H2,1-3H3 |
| InChIKey | VMYHHAPFJCPJOM-UHFFFAOYSA-N |
| Mol Weight | 339.6 g/mol |
| Molecular Formula | C13H13Cl3O4 |
| Exact Mass | 337.987942 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 | 2lMPjwJqRbF |
|---|---|
| Name | Dimethylmalonic acid, ethyl 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.987941995 u |
| Formula | C13H13Cl3O4 |
| InChI | InChI=1S/C13H13Cl3O4/c1-4-19-11(17)13(2,3)12(18)20-10-8(15)5-7(14)6-9(10)16/h5-6H,4H2,1-3H3 |
| InChIKey | VMYHHAPFJCPJOM-UHFFFAOYSA-N |
| Molecular Weight | 339.602 g/mol |
| SMILES | C1(=CC(Cl)=C(C(=C1)Cl)OC(C(C(OCC)=O)(C)C)=O)Cl |