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2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)benzoic acid
SpectraBase Compound ID HUGkuVAvaR7
InChI InChI=1S/C16H12F3NO3S/c17-16(18,19)11-6-2-3-7-12(11)20-14(21)9-24-13-8-4-1-5-10(13)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23)
InChIKey XGOUZDOOJSGOEM-UHFFFAOYSA-N
Mol Weight 355.33 g/mol
Molecular Formula C16H12F3NO3S
Exact Mass 355.048999 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6BIKm15T86Z
Name 2-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H12F3NO3S/c17-16(18,19)11-6-2-3-7-12(11)20-14(21)9-24-13-8-4-1-5-10(13)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23)
InChIKey XGOUZDOOJSGOEM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6472
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11252663; Labnumber: 1387; IOH_ID: IOH-006473