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1-{[(2,5-dichlorophenyl)sulfanyl]methyl}-1H-pyrazole-3-carboxylic acid
SpectraBase Compound ID 5phC304kaRa
InChI InChI=1S/C11H8Cl2N2O2S/c12-7-1-2-8(13)10(5-7)18-6-15-4-3-9(14-15)11(16)17/h1-5H,6H2,(H,16,17)
InChIKey NEHNOEMDKHXERX-UHFFFAOYSA-N
Mol Weight 303.16 g/mol
Molecular Formula C11H8Cl2N2O2S
Exact Mass 301.968354 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ILr5Wl4nPsg
Name 1-{[(2,5-dichlorophenyl)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/C11H8Cl2N2O2S/c12-7-1-2-8(13)10(5-7)18-6-15-4-3-9(14-15)11(16)17/h1-5H,6H2,(H,16,17)
InChIKey NEHNOEMDKHXERX-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16637
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/1268321; Labnumber: OLG1129; UZI_ID: UZI-016641
Temperature 306 °C