2-({2-oxo-2-[3-(Trifluoromethyl)anilino]ethyl}sulfanyl)benzoic acid

SpectraBase Compound ID	BwoyRcHnaXT
InChI	InChI=1S/C16H12F3NO3S/c17-16(18,19)10-4-3-5-11(8-10)20-14(21)9-24-13-7-2-1-6-12(13)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23)
InChIKey	WQHQRLBLRGHAGE-UHFFFAOYSA-N Google Search
Mol Weight	355.33 g/mol
Molecular Formula	C16H12F3NO3S
Exact Mass	355.048999 g/mol

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SpectraBase Spectrum ID	La5nEyGYHgj
Name	benzoic acid, 2-[[2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]thio]-
Copyright	Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	355.048998910 u
Formula	C16H12F3NO3S
InChI	InChI=1S/C16H12F3NO3S/c17-16(18,19)10-4-3-5-11(8-10)20-14(21)9-24-13-7-2-1-6-12(13)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23)
InChIKey	WQHQRLBLRGHAGE-UHFFFAOYSA-N
Molecular Weight	355.331 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_16234
Solvent	DMSO-d6
Source	Vendor ID: NMR/10321148; Lab Info: DEM; Lab Number: DEM-0000286