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2-[2-bromo-6-methoxy-4-((Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetamide

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2-[2-bromo-6-methoxy-4-((Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetamide
SpectraBase Compound ID 4pZVfIYs20x
InChI InChI=1S/C21H17BrF3N3O4/c1-11-15(6-12-7-16(22)19(17(8-12)31-2)32-10-18(26)29)20(30)28(27-11)14-5-3-4-13(9-14)21(23,24)25/h3-9H,10H2,1-2H3,(H2,26,29)/b15-6-
InChIKey CHJIPEQGSPNEFJ-UUASQNMZSA-N
Mol Weight 512.28 g/mol
Molecular Formula C21H17BrF3N3O4
Exact Mass 511.035454 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HAbLp3KkNKj
Name 2-[2-bromo-6-methoxy-4-((Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetamide
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/C21H17BrF3N3O4/c1-11-15(6-12-7-16(22)19(17(8-12)31-2)32-10-18(26)29)20(30)28(27-11)14-5-3-4-13(9-14)21(23,24)25/h3-9H,10H2,1-2H3,(H2,26,29)/b15-6-
InChIKey CHJIPEQGSPNEFJ-UUASQNMZSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13209
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/9063752; UBI_ID: UBI-013212
Synonyms 2-[2-bromo-6-methoxy-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetamide
Temperature 308 °C