4-Fluorophenyl-4'-[diethanolamino]phenyl sulfone

SpectraBase Compound ID	FXn3oXxzkSk
InChI	InChI=1S/C16H18FNO4S/c17-13-1-5-15(6-2-13)23(21,22)16-7-3-14(4-8-16)18(9-11-19)10-12-20/h1-8,19-20H,9-12H2
InChIKey	LRZZWAOAPDGSMP-UHFFFAOYSA-N Google Search
Mol Weight	339.38 g/mol
Molecular Formula	C16H18FNO4S
Exact Mass	339.094057 g/mol

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SpectraBase Spectrum ID	9V6dY2Jrnol
Name	4-Fluorophenyl-4'-[diethanolamino]phenyl sulfone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	339.094057397 u
Formula	C16H18FNO4S
InChI	InChI=1S/C16H18FNO4S/c17-13-1-5-15(6-2-13)23(21,22)16-7-3-14(4-8-16)18(9-11-19)10-12-20/h1-8,19-20H,9-12H2
InChIKey	LRZZWAOAPDGSMP-UHFFFAOYSA-N
Molecular Weight	339.381 g/mol
SMILES	C1(S(=O)(=O)C2=CC=C(C=C2)N(CCO)CCO)=CC=C(C=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR)	0.914296