SpectraBase Compound ID | EYCz92gDyIr |
---|---|
InChI | InChI=1S/C9H8Cl2O2S/c10-9(11)6-8(9)14(12,13)7-4-2-1-3-5-7/h1-5,8H,6H2 |
InChIKey | XPHUXLOBBBGMAU-UHFFFAOYSA-N |
Mol Weight | 251.13 g/mol |
Molecular Formula | C9H8Cl2O2S |
Exact Mass | 249.962206 g/mol |
SpectraBase Spectrum ID | 7GwBYsXp0F2 |
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Name | 2,2-Dichlorocyclopropyl phenyl sulfone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 249.962206070 u |
Formula | C9H8Cl2O2S |
InChI | InChI=1S/C9H8Cl2O2S/c10-9(11)6-8(9)14(12,13)7-4-2-1-3-5-7/h1-5,8H,6H2 |
InChIKey | XPHUXLOBBBGMAU-UHFFFAOYSA-N |
Molecular Weight | 251.127 g/mol |
SMILES | C=1C(=CC=CC1)S(=O)(=O)C1C(C1)(Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946145 |