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3-[(4E)-4-(4-fluorobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
SpectraBase Compound ID 2PznonpPFb1
InChI InChI=1S/C18H13FN2O3/c1-11-16(9-12-5-7-14(19)8-6-12)17(22)21(20-11)15-4-2-3-13(10-15)18(23)24/h2-10H,1H3,(H,23,24)/b16-9+
InChIKey UJEJOGQEJNWSMA-CXUHLZMHSA-N
Mol Weight 324.31 g/mol
Molecular Formula C18H13FN2O3
Exact Mass 324.09102 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DCQtNb5u2D5
Name 3-[(4E)-4-(4-fluorobenzylidene)-3-methyl-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/C18H13FN2O3/c1-11-16(9-12-5-7-14(19)8-6-12)17(22)21(20-11)15-4-2-3-13(10-15)18(23)24/h2-10H,1H3,(H,23,24)/b16-9+
InChIKey UJEJOGQEJNWSMA-CXUHLZMHSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1569
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/8177582; Labnumber: SAD-e170212
Temperature 297 °C