2-Chloranyl-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene

SpectraBase Compound ID	2Hnx0LtAydA
InChI	InChI=1S/C20H17ClO3S/c1-24-20-12-9-15(13-19(20)21)18-6-4-3-5-17(18)14-7-10-16(11-8-14)25(2,22)23/h3-13H,1-2H3
InChIKey	KZIVRPXSIUTGGU-UHFFFAOYSA-N Google Search
Mol Weight	372.87 g/mol
Molecular Formula	C20H17ClO3S
Exact Mass	372.058693 g/mol

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SpectraBase Spectrum ID	EdnYyCoBTko
Name	2-Chloranyl-1-methoxy-4-[2-(4-methylsulfonylphenyl)phenyl]benzene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	372.058693278 u
Formula	C20H17ClO3S
InChI	InChI=1S/C20H17ClO3S/c1-24-20-12-9-15(13-19(20)21)18-6-4-3-5-17(18)14-7-10-16(11-8-14)25(2,22)23/h3-13H,1-2H3
InChIKey	KZIVRPXSIUTGGU-UHFFFAOYSA-N
Molecular Weight	372.866 g/mol
SMILES	C=1(C(=CC=CC1)C=1C=CC(=CC1)S(=O)(=O)C)C=1C=C(C(=CC1)OC)Cl
Spectrum/Structure Validation Score (Vapor Phase IR)	0.920815