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2-chloro-5-{(4E)-3-methyl-4-[(3-methyl-2-thienyl)methylene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
SpectraBase Compound ID G2irnbsHTOP
InChI InChI=1S/C17H13ClN2O3S/c1-9-5-6-24-15(9)8-12-10(2)19-20(16(12)21)11-3-4-14(18)13(7-11)17(22)23/h3-8H,1-2H3,(H,22,23)/b12-8+
InChIKey SFVDTHPQBCPYQJ-XYOKQWHBSA-N
Mol Weight 360.82 g/mol
Molecular Formula C17H13ClN2O3S
Exact Mass 360.033541 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7PFPh13oFEG
Name 2-chloro-5-{(4E)-3-methyl-4-[(3-methyl-2-thienyl)methylene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}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/C17H13ClN2O3S/c1-9-5-6-24-15(9)8-12-10(2)19-20(16(12)21)11-3-4-14(18)13(7-11)17(22)23/h3-8H,1-2H3,(H,22,23)/b12-8+
InChIKey SFVDTHPQBCPYQJ-XYOKQWHBSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1253
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: ZI/8162702; Labnumber: SAD-e160237