| SpectraBase Compound ID | JCKtUMhaVRa |
|---|---|
| InChI | InChI=1S/C13H8Cl3NO2/c14-8-5-6-9(15)11(7-8)17-13(18)19-12-4-2-1-3-10(12)16/h1-7H,(H,17,18) |
| InChIKey | LKDZHGGMLDPGCE-UHFFFAOYSA-N |
| Mol Weight | 316.57 g/mol |
| Molecular Formula | C13H8Cl3NO2 |
| Exact Mass | 314.962062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20oDqTlBUTN |
|---|---|
| Name | 2,5-Dichlorocarbanilic acid, o-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.962061600 u |
| Formula | C13H8Cl3NO2 |
| InChI | InChI=1S/C13H8Cl3NO2/c14-8-5-6-9(15)11(7-8)17-13(18)19-12-4-2-1-3-10(12)16/h1-7H,(H,17,18) |
| InChIKey | LKDZHGGMLDPGCE-UHFFFAOYSA-N |
| SMILES | N(C1=CC(=CC=C1Cl)Cl)C(OC=1C=CC=CC1Cl)=O |