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1-{[2-(4-bromophenyl)-4-quinolinyl]carbonyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID GaGHeTXa9cb
InChI InChI=1S/C21H14BrF4N3O2/c22-12-7-5-11(6-8-12)16-9-14(13-3-1-2-4-15(13)27-16)19(30)29-21(31,20(25)26)10-17(28-29)18(23)24/h1-9,18,20,31H,10H2
InChIKey ZVVYJPKBHICVDE-UHFFFAOYSA-N
Mol Weight 496.26 g/mol
Molecular Formula C21H14BrF4N3O2
Exact Mass 495.020552 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2064smdvpBG
Name 1-{[2-(4-bromophenyl)-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/C21H14BrF4N3O2/c22-12-7-5-11(6-8-12)16-9-14(13-3-1-2-4-15(13)27-16)19(30)29-21(31,20(25)26)10-17(28-29)18(23)24/h1-9,18,20,31H,10H2
InChIKey ZVVYJPKBHICVDE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6129
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/1024289; Labnumber: COL0954; UZI_ID: UZI-006131
Temperature 318 °C