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3,5-bis(difluoromethyl)-1-{5-[(2-isopropyl-5-methylphenoxy)methyl]-2-furoyl}-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID 2PtPOvl0fXZ
InChI InChI=1S/C21H22F4N2O4/c1-11(2)14-6-4-12(3)8-17(14)30-10-13-5-7-16(31-13)19(28)27-21(29,20(24)25)9-15(26-27)18(22)23/h4-8,11,18,20,29H,9-10H2,1-3H3
InChIKey BKPKOMQXPICDOL-UHFFFAOYSA-N
Mol Weight 442.41 g/mol
Molecular Formula C21H22F4N2O4
Exact Mass 442.15157 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BMLItoHPPD
Name 3,5-bis(difluoromethyl)-1-{5-[(2-isopropyl-5-methylphenoxy)methyl]-2-furoyl}-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/C21H22F4N2O4/c1-11(2)14-6-4-12(3)8-17(14)30-10-13-5-7-16(31-13)19(28)27-21(29,20(24)25)9-15(26-27)18(22)23/h4-8,11,18,20,29H,9-10H2,1-3H3
InChIKey BKPKOMQXPICDOL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9316
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/1026437; Labnumber: ICA0159; UZI_ID: UZI-009318
Temperature 308 °C