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1-{[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID yAiWTf7s9L
InChI InChI=1S/C22H15F4N3O4/c23-19(24)16-9-22(31,21(25)26)29(28-16)20(30)13-8-15(27-14-4-2-1-3-12(13)14)11-5-6-17-18(7-11)33-10-32-17/h1-8,19,21,31H,9-10H2
InChIKey QKAFJKWQPLBXHZ-UHFFFAOYSA-N
Mol Weight 461.37 g/mol
Molecular Formula C22H15F4N3O4
Exact Mass 461.099869 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CPSNGMbPRQN
Name 1-{[2-(1,3-benzodioxol-5-yl)-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/C22H15F4N3O4/c23-19(24)16-9-22(31,21(25)26)29(28-16)20(30)13-8-15(27-14-4-2-1-3-12(13)14)11-5-6-17-18(7-11)33-10-32-17/h1-8,19,21,31H,9-10H2
InChIKey QKAFJKWQPLBXHZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6233
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/1024888; Labnumber: COL1122; UZI_ID: UZI-006235
Temperature 318 °C