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1-{[(2,3,5,6-tetrafluorophenyl)sulfanyl]methyl}-1H-pyrazole-3-carboxylic acid
SpectraBase Compound ID FWkSm0ddpD2
InChI InChI=1S/C11H6F4N2O2S/c12-5-3-6(13)9(15)10(8(5)14)20-4-17-2-1-7(16-17)11(18)19/h1-3H,4H2,(H,18,19)
InChIKey OKJSYQVUEKPRDF-UHFFFAOYSA-N
Mol Weight 306.23 g/mol
Molecular Formula C11H6F4N2O2S
Exact Mass 306.008611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EdDwOya7Hma
Name 1-{[(2,3,5,6-tetrafluorophenyl)sulfanyl]methyl}-1H-pyrazole-3-carboxylic 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/C11H6F4N2O2S/c12-5-3-6(13)9(15)10(8(5)14)20-4-17-2-1-7(16-17)11(18)19/h1-3H,4H2,(H,18,19)
InChIKey OKJSYQVUEKPRDF-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16612
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: UZI/1262788; Labnumber: OLG0980; UZI_ID: UZI-016616
Temperature 308 °C