SpectraBase Compound ID | AfDWPuM8u0M |
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InChI | InChI=1S/C9H8Cl2O3/c1-2-13-9(12)14-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3 |
InChIKey | IHBKIQNCLUJXCK-UHFFFAOYSA-N |
Mol Weight | 235.07 g/mol |
Molecular Formula | C9H8Cl2O3 |
Exact Mass | 233.98505 g/mol |
SpectraBase Spectrum ID | 5ozw1l5VbWq |
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Name | Carbonic acid, ethyl 3,4-dichlorophenyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 233.985049515 u |
Formula | C9H8Cl2O3 |
InChI | InChI=1S/C9H8Cl2O3/c1-2-13-9(12)14-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3 |
InChIKey | IHBKIQNCLUJXCK-UHFFFAOYSA-N |
Molecular Weight | 235.066 g/mol |
SMILES | C(C)OC(=O)OC1=CC(=C(C=C1)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92218 |