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1-{[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]carbonyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID A6JzNCOBu4c
InChI InChI=1S/C25H22BrF4N3O2/c1-24(2,3)14-6-4-13(5-7-14)19-11-17(16-10-15(26)8-9-18(16)31-19)22(34)33-25(35,23(29)30)12-20(32-33)21(27)28/h4-11,21,23,35H,12H2,1-3H3
InChIKey NYJDKNNXBADANQ-UHFFFAOYSA-N
Mol Weight 552.37 g/mol
Molecular Formula C25H22BrF4N3O2
Exact Mass 551.083153 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5vnoRepxBDF
Name 1-{[6-bromo-2-(4-tert-butylphenyl)-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/C25H22BrF4N3O2/c1-24(2,3)14-6-4-13(5-7-14)19-11-17(16-10-15(26)8-9-18(16)31-19)22(34)33-25(35,23(29)30)12-20(32-33)21(27)28/h4-11,21,23,35H,12H2,1-3H3
InChIKey NYJDKNNXBADANQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6133
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/1023876; Labnumber: COL0958; UZI_ID: UZI-006135
Temperature 318 °C