SpectraBase Compound ID | 8lQuyQRTkCU |
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InChI | InChI=1S/C12H9ClO4S/c13-8-1-4-10(5-2-8)18(16,17)12-7-9(14)3-6-11(12)15/h1-7,14-15H |
InChIKey | GRJCSCJLZPJXES-UHFFFAOYSA-N |
Mol Weight | 284.71 g/mol |
Molecular Formula | C12H9ClO4S |
Exact Mass | 283.991008 g/mol |
SpectraBase Spectrum ID | BTW1t8NC3vx |
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Name | 2-[(4-Chlorophenyl)sulfonyl]-1,4-benzenediol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 283.991007640 u |
Formula | C12H9ClO4S |
InChI | InChI=1S/C12H9ClO4S/c13-8-1-4-10(5-2-8)18(16,17)12-7-9(14)3-6-11(12)15/h1-7,14-15H |
InChIKey | GRJCSCJLZPJXES-UHFFFAOYSA-N |
SMILES | C1(S(=O)(=O)C2=CC=C(C=C2)Cl)=C(C=CC(=C1)O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921848 |