N-(2,6-Difluorobenzoyl)-N'-(2-[(1,1,2,2,2-pentafluoroethyl)sulfanyl]phenyl)urea

SpectraBase Compound ID	CGXZKMCclD7
InChI	InChI=1S/C16H9F7N2O2S/c17-8-4-3-5-9(18)12(8)13(26)25-14(27)24-10-6-1-2-7-11(10)28-16(22,23)15(19,20)21/h1-7H,(H2,24,25,26,27)
InChIKey	LGTQKCOWVXLPKJ-UHFFFAOYSA-N Google Search
Mol Weight	426.31 g/mol
Molecular Formula	C16H9F7N2O2S
Exact Mass	426.027296 g/mol

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SpectraBase Spectrum ID	7bp8l8csgDl
Name	1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	426.027295851 u
Formula	C16H9F7N2O2S
InChI	InChI=1S/C16H9F7N2O2S/c17-8-4-3-5-9(18)12(8)13(26)25-14(27)24-10-6-1-2-7-11(10)28-16(22,23)15(19,20)21/h1-7H,(H2,24,25,26,27)
InChIKey	LGTQKCOWVXLPKJ-UHFFFAOYSA-N
Molecular Weight	426.309 g/mol
SMILES	C(NC(NC=1C(SC(C(F)(F)F)(F)F)=CC=CC1)=O)(C1=C(C=CC=C1F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.926022