| SpectraBase Compound ID | 641EfmgtpAr |
|---|---|
| InChI | InChI=1S/C8H5Cl3O2/c9-5-3-1-2-4-6(5)13-8(12)7(10)11/h1-4,7H |
| InChIKey | YMRPILXLBZYOLF-UHFFFAOYSA-N |
| Mol Weight | 239.48 g/mol |
| Molecular Formula | C8H5Cl3O2 |
| Exact Mass | 237.935512 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 | APA5rOElWQq |
|---|---|
| Name | Dichloroacetic acid, 2-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.935512499 u |
| Formula | C8H5Cl3O2 |
| InChI | InChI=1S/C8H5Cl3O2/c9-5-3-1-2-4-6(5)13-8(12)7(10)11/h1-4,7H |
| InChIKey | YMRPILXLBZYOLF-UHFFFAOYSA-N |
| Molecular Weight | 239.485 g/mol |
| SMILES | C(Cl)(C(OC1=CC=CC=C1Cl)=O)Cl |