SpectraBase Compound ID | DOmnFKbLfTn |
---|---|
InChI | InChI=1S/C9H8Cl2O2/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6H2 |
InChIKey | OPAWQQDDCKSJAC-UHFFFAOYSA-N |
Mol Weight | 219.07 g/mol |
Molecular Formula | C9H8Cl2O2 |
Exact Mass | 217.990135 g/mol |
SpectraBase Spectrum ID | HTbySHs2F49 |
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Name | 2-Chlorobenzoic acid, 2-chloroethyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 217.990134896 u |
Formula | C9H8Cl2O2 |
InChI | InChI=1S/C9H8Cl2O2/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6H2 |
InChIKey | OPAWQQDDCKSJAC-UHFFFAOYSA-N |
Molecular Weight | 219.067 g/mol |
SMILES | C(C1=C(C=CC=C1)Cl)(OCCCl)=O |