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3-{(4E)-3-methyl-4-[(3-methyl-2-thienyl)methylene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
SpectraBase Compound ID 9PFFW5UXImo
InChI InChI=1S/C17H14N2O3S/c1-10-6-7-23-15(10)9-14-11(2)18-19(16(14)20)13-5-3-4-12(8-13)17(21)22/h3-9H,1-2H3,(H,21,22)/b14-9+
InChIKey KIYPIXAPZMJUQM-NTEUORMPSA-N
Mol Weight 326.37 g/mol
Molecular Formula C17H14N2O3S
Exact Mass 326.072513 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1eReneCOqok
Name 3-{(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/C17H14N2O3S/c1-10-6-7-23-15(10)9-14-11(2)18-19(16(14)20)13-5-3-4-12(8-13)17(21)22/h3-9H,1-2H3,(H,21,22)/b14-9+
InChIKey KIYPIXAPZMJUQM-NTEUORMPSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1570
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/8177612; Labnumber: SAD-e170220
Temperature 297 °C