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[2-ethoxy-4-((E)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetic acid

View entire compound with spectra: 1 NMR

[2-ethoxy-4-((E)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetic acid
SpectraBase Compound ID HhTGB4F8sIV
InChI InChI=1S/C22H19F3N2O5/c1-3-31-19-10-14(7-8-18(19)32-12-20(28)29)9-17-13(2)26-27(21(17)30)16-6-4-5-15(11-16)22(23,24)25/h4-11H,3,12H2,1-2H3,(H,28,29)/b17-9+
InChIKey IKYIWWLGOSAVDS-RQZCQDPDSA-N
Mol Weight 448.4 g/mol
Molecular Formula C22H19F3N2O5
Exact Mass 448.124606 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6jjWSGjIOkm
Name [2-ethoxy-4-((E)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetic acid
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/C22H19F3N2O5/c1-3-31-19-10-14(7-8-18(19)32-12-20(28)29)9-17-13(2)26-27(21(17)30)16-6-4-5-15(11-16)22(23,24)25/h4-11H,3,12H2,1-2H3,(H,28,29)/b17-9+
InChIKey IKYIWWLGOSAVDS-RQZCQDPDSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16512
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/8127350; UBI_ID: UBI-016515
Synonyms [2-ethoxy-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetic acid
Temperature 308 °C