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1-{[2-(2-chlorophenyl)-4-quinolinyl]carbonyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID KbO2yMeXsT1
InChI InChI=1S/C21H14ClF4N3O2/c22-14-7-3-1-6-12(14)16-9-13(11-5-2-4-8-15(11)27-16)19(30)29-21(31,20(25)26)10-17(28-29)18(23)24/h1-9,18,20,31H,10H2
InChIKey FIYJHFGCEMKQCY-UHFFFAOYSA-N
Mol Weight 451.81 g/mol
Molecular Formula C21H14ClF4N3O2
Exact Mass 451.071067 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GTlTZG5g35C
Name 1-{[2-(2-chlorophenyl)-4-quinolinyl]carbonyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
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/C21H14ClF4N3O2/c22-14-7-3-1-6-12(14)16-9-13(11-5-2-4-8-15(11)27-16)19(30)29-21(31,20(25)26)10-17(28-29)18(23)24/h1-9,18,20,31H,10H2
InChIKey FIYJHFGCEMKQCY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6057
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/1025446; Labnumber: COL0576; UZI_ID: UZI-006059
Temperature 318 °C