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4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile
SpectraBase Compound ID 2T4ZLKytVlu
InChI InChI=1S/C20H15F4N3O3/c21-17(22)16-9-20(29,19(23)24)27(26-16)18(28)14-3-1-2-13(8-14)11-30-15-6-4-12(10-25)5-7-15/h1-8,17,19,29H,9,11H2
InChIKey MZHVMNOOSCACKA-UHFFFAOYSA-N
Mol Weight 421.35 g/mol
Molecular Formula C20H15F4N3O3
Exact Mass 421.104954 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3DVb3owNEGt
Name 4-[(3-{[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H15F4N3O3/c21-17(22)16-9-20(29,19(23)24)27(26-16)18(28)14-3-1-2-13(8-14)11-30-15-6-4-12(10-25)5-7-15/h1-8,17,19,29H,9,11H2
InChIKey MZHVMNOOSCACKA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18473
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/1028025; Labnumber: TYD0345; UZI_ID: UZI-018480
Temperature 308 °C