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1-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzoyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID K4v1lLRY09U
InChI InChI=1S/C21H20ClF3N2O4/c1-12-8-16(5-6-17(12)22)31-11-15-9-14(4-7-18(15)30-3)19(28)27-20(29,21(23,24)25)10-13(2)26-27/h4-9,29H,10-11H2,1-3H3
InChIKey QTSHPBRIGGJKEN-UHFFFAOYSA-N
Mol Weight 456.85 g/mol
Molecular Formula C21H20ClF3N2O4
Exact Mass 456.106369 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IB9DCAUqywD
Name 1-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzoyl}-3-methyl-5-(trifluoromethyl)-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/C21H20ClF3N2O4/c1-12-8-16(5-6-17(12)22)31-11-15-9-14(4-7-18(15)30-3)19(28)27-20(29,21(23,24)25)10-13(2)26-27/h4-9,29H,10-11H2,1-3H3
InChIKey QTSHPBRIGGJKEN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18490
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/1026838; Labnumber: TYD0366; UZI_ID: UZI-018497
Temperature 308 °C