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2-Chloro-4-(methylsulfonyl)benzaldehyde
SpectraBase Compound ID AMsIRITSh00
InChI InChI=1S/C8H7ClO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChIKey FSZMGEPPBLUUFS-UHFFFAOYSA-N
Mol Weight 218.65 g/mol
Molecular Formula C8H7ClO3S
Exact Mass 217.980443 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EVa20Ek4TUb
Name 2-Chloro-4-(methylsulfonyl)benzaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.980442956 u
Formula C8H7ClO3S
InChI InChI=1S/C8H7ClO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChIKey FSZMGEPPBLUUFS-UHFFFAOYSA-N
Molecular Weight 218.654 g/mol
SMILES CS(=O)(=O)C1=CC(=C(C=C1)C=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926187