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2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}benzoic acid
SpectraBase Compound ID 8mXE0yGjS1g
InChI InChI=1S/C14H8F3NO4S/c15-14(16,17)8-5-6-12(10(7-8)18(21)22)23-11-4-2-1-3-9(11)13(19)20/h1-7H,(H,19,20)
InChIKey MXLQVAQMSZOUEX-UHFFFAOYSA-N
Mol Weight 343.28 g/mol
Molecular Formula C14H8F3NO4S
Exact Mass 343.012613 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7QfCzzXMf7C
Name 2-{[2-nitro-4-(trifluoromethyl)phenyl]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/C14H8F3NO4S/c15-14(16,17)8-5-6-12(10(7-8)18(21)22)23-11-4-2-1-3-9(11)13(19)20/h1-7H,(H,19,20)
InChIKey MXLQVAQMSZOUEX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6043
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/11241752; Labnumber: LP-2110640; IOH_ID: IOH-006044